3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine

C11H19F2N — CID 138459930

IUPAC3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
SMILESC=C(CC1CCC(F)(F)CC1)NCC
InChIInChI=1S/C11H19F2N/c1-3-14-9(2)8-10-4-6-11(12,13)7-5-10/h10,14H,2-8H2,1H3
InChIKeyCGGIADPCUNFBID-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.33
Rot. Bonds4

About 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine

3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine (PubChem CID 138459930) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
PubChem CID138459930
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
SMILESC=C(CC1CCC(F)(F)CC1)NCC
InChIInChI=1S/C11H19F2N/c1-3-14-9(2)8-10-4-6-11(12,13)7-5-10/h10,14H,2-8H2,1H3
InChIKeyCGGIADPCUNFBID-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-N-[1-[(1R)-2-fluorocyclopropyl]ethenyl]cyclohexan-1-amine
CID 89108112
N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
3,3-difluoro-N-(2-methylpropyl)hexadec-1-en-2-amine
CID 138530165
(2S)-2-[(4,4-difluorocyclohexyl)methyl]-N-methylbutan-1-amine;N-methylprop-1-en-2-amine
CID 143486970
3,5-dimethyl-N-(2,2,2-trifluoroethyl)hept-1-en-2-amine
CID 143513257
(4R,5S)-2-N-(2,2-dimethylpropyl)-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185610
(4R,5S)-2-N-ethyl-3,3-difluoro-4,6-dimethylhept-1-ene-2,5-diamine
CID 145185621
(4R,5S)-3,3-difluoro-4,6-dimethyl-2-N-(2,2,2-trifluoroethyl)hept-1-ene-2,5-diamine
CID 145185625
N-[1-(4,4-difluoro-1-propan-2-ylcyclohexyl)ethenyl]prop-1-en-2-amine
CID 155274500
2-fluoro-2-methyl-N-[4-[(1S,4S)-4-methylcycloheptyl]but-1-en-2-yl]propan-1-amine
CID 156099681
N-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine (CID 138459930) is 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine is C=C(CC1CCC(F)(F)CC1)NCC.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine?
The InChIKey is CGGIADPCUNFBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-3-14-9(2)8-10-4-6-11(12,13)7-5-10/h10,14H,2-8H2,1H3.
What are the key properties of 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine?
3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine has a molecular weight of 203.28 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine is sourced from PubChem (CID 138459930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).