(3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine

C24H37F2N — CID 143037065

IUPAC(3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine
SMILESCC[C@@H]1CCN(CC(C2=CC=CC(C(C)(F)F)=CC2)C2(C)CCCCC2)C1
InChIInChI=1S/C24H37F2N/c1-4-19-13-16-27(17-19)18-22(23(2)14-6-5-7-15-23)20-9-8-10-21(12-11-20)24(3,25)26/h8-10,12,19,22H,4-7,11,13-18H2,1-3H3/t19-,22?/m1/s1
InChIKeyFAZDNLVYVISUOX-LCQOSCCDSA-N
MW377.56 g/mol
LogP6.77
Rot. Bonds6

About (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine

(3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine (PubChem CID 143037065) has the molecular formula C24H37F2N and a molecular weight of 377.56 g/mol. Its IUPAC name is (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine.

Molecular Properties

Compound Name(3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine
PubChem CID143037065
Molecular FormulaC24H37F2N
Molecular Weight377.56 g/mol
Exact Mass377.29
IUPAC Name(3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine
SMILESCC[C@@H]1CCN(CC(C2=CC=CC(C(C)(F)F)=CC2)C2(C)CCCCC2)C1
InChIInChI=1S/C24H37F2N/c1-4-19-13-16-27(17-19)18-22(23(2)14-6-5-7-15-23)20-9-8-10-21(12-11-20)24(3,25)26/h8-10,12,19,22H,4-7,11,13-18H2,1-3H3/t19-,22?/m1/s1
InChIKeyFAZDNLVYVISUOX-LCQOSCCDSA-N
XLogP6.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.56
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-4-(2,3,4,9-tetrahydro-1H-benzo[7]annulen-7-yl)butyl]-2-(trifluoromethyl)pyrrolidine
CID 135225529
(2E)-1-[(4,4-difluorocyclohexyl)methyl]-2-[(2Z)-2-ethylidene-4,7,8-trimethylnon-7-enylidene]-3-methylidene-4-[(3E)-penta-1,3-dien-3-yl]pyrrolidine
CID 135294954
3-[3-[2-(4,4-difluorocyclohexyl)propan-2-yl]-5-(2,4-dimethylcyclobuta-1,3-dien-1-yl)-7-methyl-3,7-dihydroazulen-1-yl]-1,4-dimethyl-2H-azete
CID 135294976
1-N,2-N,2-N-trimethyl-1-N-[(3E,5Z)-3-methyl-2-(1-methylcyclohexyl)-7-(trifluoromethyl)octa-3,5,7-trienyl]butane-1,2-diamine
CID 143036773
1-Butyl-4-[5-fluoro-2-(3,3,5,5-tetramethylcyclohexyl)cyclohepta-1,3,5-trien-1-yl]piperidine
CID 143071797
ethane;1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 143290463
1-[(3E,5Z,7Z)-nona-1,3,5,7-tetraen-4-yl]-3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexane
CID 143290498
1-Methyl-3-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pyrrolidine
CID 144435264
5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine
CID 166724511
2-[2-(2-Cyclopropylethyl)-3-methylbutyl]-5-(trifluoromethyl)-1,3,3a,7a-tetrahydroisoindole
CID 175808872
1-[(2E)-1-(5-chlorocyclohepta-1,4,6-trien-1-yl)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-3-[1-(3,5-difluorocyclohexa-1,3-dien-1-yl)-2-fluoro-2-methylpropyl]pyrrolidine
CID 142982183
1-[(3E,5Z)-3-ethyl-8-fluoro-7,8-dimethyl-2-(1-methylcyclohexyl)nona-3,5-dienyl]-3-methylpyrrolidine
CID 143036764

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine?
The IUPAC name of (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine (CID 143037065) is (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine.
What is the SMILES notation for (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine?
The canonical SMILES for (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine is CC[C@@H]1CCN(CC(C2=CC=CC(C(C)(F)F)=CC2)C2(C)CCCCC2)C1.
What is the InChIKey of (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine?
The InChIKey is FAZDNLVYVISUOX-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H37F2N/c1-4-19-13-16-27(17-19)18-22(23(2)14-6-5-7-15-23)20-9-8-10-21(12-11-20)24(3,25)26/h8-10,12,19,22H,4-7,11,13-18H2,1-3H3/t19-,22?/m1/s1.
What are the key properties of (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine?
(3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine has a molecular weight of 377.56 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-[5-(1,1-difluoroethyl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]-3-ethylpyrrolidine is sourced from PubChem (CID 143037065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).