N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine

C11H19F2N — CID 174336602

IUPACN-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)14-9(3)10-4-6-11(12,13)7-5-10/h8,10,14H,3-7H2,1-2H3
InChIKeyHTWJZSPNSJQGAP-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.32
Rot. Bonds3

About N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine

N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine (PubChem CID 174336602) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
PubChem CID174336602
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC NameN-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine
SMILESC=C(NC(C)C)C1CCC(F)(F)CC1
InChIInChI=1S/C11H19F2N/c1-8(2)14-9(3)10-4-6-11(12,13)7-5-10/h8,10,14H,3-7H2,1-2H3
InChIKeyHTWJZSPNSJQGAP-UHFFFAOYSA-N
XLogP3.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.32
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-(4,4-difluorocyclohexyl)-N-ethylprop-1-en-2-amine
CID 138459930
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-(3-cyclohexylpropyl)-11-fluoroundec-1-en-2-amine
CID 169971563
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
2-fluoro-N',3-dimethyl-N-(3-methylbut-1-en-2-yl)hexane-1,6-diamine
CID 170040888
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620
3-(2,2-Dimethylpropyl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 174169277

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine?
The IUPAC name of N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine (CID 174336602) is N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine.
What is the SMILES notation for N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine?
The canonical SMILES for N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine is C=C(NC(C)C)C1CCC(F)(F)CC1.
What is the InChIKey of N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine?
The InChIKey is HTWJZSPNSJQGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)14-9(3)10-4-6-11(12,13)7-5-10/h8,10,14H,3-7H2,1-2H3.
What are the key properties of N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine?
N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine has a molecular weight of 203.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluorocyclohexyl)ethenyl]propan-2-amine is sourced from PubChem (CID 174336602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).