1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine

C12H21F2N — CID 105161239

IUPAC1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2N/c1-3-9-15-11(4-2)10-5-7-12(13,14)8-6-10/h4,10-11,15H,2-3,5-9H2,1H3
InChIKeyDVIMOXHNSJVNET-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.37
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine

1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine (PubChem CID 105161239) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine
PubChem CID105161239
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine
SMILESC=CC(NCCC)C1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2N/c1-3-9-15-11(4-2)10-5-7-12(13,14)8-6-10/h4,10-11,15H,2-3,5-9H2,1H3
InChIKeyDVIMOXHNSJVNET-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(Trifluoromethyl)hept-1-en-2-yl]piperidine
CID 70329148
6-(4-Fluoro-5-methylcyclohex-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 118448092
3-ethylidene-5-methyl-4-prop-1-enyl-N-[4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]butyl]hepta-4,6-dien-2-amine
CID 123464797
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
6-(4-Fluoro-6-methylcyclohept-2-en-1-yl)-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453704
6-[(5S)-4-fluoro-5-methylcyclohex-2-en-1-yl]-5-methyl-1,2,3,6-tetrahydropyridine
CID 139453705
N-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-5,5-difluoro-2-methylcyclohexan-1-amine
CID 145631244
1,1,1-trifluoro-N-(3-methylbutan-2-yl)oct-7-en-2-amine
CID 156093459
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
cis-(1S,3R)-3-fluoro-N-methyl-2-(2-methylbut-3-enyl)cyclohexan-1-amine
CID 163693207

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine (CID 105161239) is 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine is C=CC(NCCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine?
The InChIKey is DVIMOXHNSJVNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-3-9-15-11(4-2)10-5-7-12(13,14)8-6-10/h4,10-11,15H,2-3,5-9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine?
1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine has a molecular weight of 217.30 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 105161239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).