N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine

C15H25F3N2 — CID 143150992

IUPACN'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCN(C)CCN(C)C1CC=CC(C(C)(F)F)=C1F
InChIInChI=1S/C15H25F3N2/c1-5-9-19(3)10-11-20(4)13-8-6-7-12(14(13)16)15(2,17)18/h6-7,13H,5,8-11H2,1-4H3
InChIKeyVTZHGDDYEKOOMI-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.47
Rot. Bonds7

About N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine

N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 143150992) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID143150992
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC NameN'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCN(C)CCN(C)C1CC=CC(C(C)(F)F)=C1F
InChIInChI=1S/C15H25F3N2/c1-5-9-19(3)10-11-20(4)13-8-6-7-12(14(13)16)15(2,17)18/h6-7,13H,5,8-11H2,1-4H3
InChIKeyVTZHGDDYEKOOMI-UHFFFAOYSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine with MolForge

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Related Compounds

4-cyclohexa-1,5-dien-1-yl-N,N-diethyl-2-fluorocyclohexa-2,4-dien-1-amine
CID 69078269
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
1-[2-Ethylidene-3-(trifluoromethyl)pent-3-enyl]-4-methylpiperazine
CID 123401847
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]piperazine
CID 123945212
1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine
CID 123953279
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)but-2-enyl]piperazine
CID 123958710
N-ethyl-N,N'-dimethyl-N'-[5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 123968478
1-Ethyl-4-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 123987426
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine (CID 143150992) is N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine is CCCN(C)CCN(C)C1CC=CC(C(C)(F)F)=C1F.
What is the InChIKey of N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is VTZHGDDYEKOOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-5-9-19(3)10-11-20(4)13-8-6-7-12(14(13)16)15(2,17)18/h6-7,13H,5,8-11H2,1-4H3.
What are the key properties of N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine?
N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 143150992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).