3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

C14H17F4N — CID 112567629

IUPAC3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F4N/c15-13(6-2-5-12(19)9-13)8-10-3-1-4-11(7-10)14(16,17)18/h1,3-4,7,12H,2,5-6,8-9,19H2
InChIKeyMIAVRHXUQNWNCL-UHFFFAOYSA-N
MW275.29 g/mol
LogP3.86
Rot. Bonds2

About 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine

3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (PubChem CID 112567629) has the molecular formula C14H17F4N and a molecular weight of 275.29 g/mol. Its IUPAC name is 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
PubChem CID112567629
Molecular FormulaC14H17F4N
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
SMILESNC1CCCC(F)(Cc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F4N/c15-13(6-2-5-12(19)9-13)8-10-3-1-4-11(7-10)14(16,17)18/h1,3-4,7,12H,2,5-6,8-9,19H2
InChIKeyMIAVRHXUQNWNCL-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,5-difluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 105411759
3-[(4-chloro-3-fluorophenyl)methyl]-3-fluorocyclohexan-1-amine
CID 114013147
4-[(3-amino-1-fluorocyclohexyl)methyl]pyridin-2-amine
CID 112567457
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 139444270
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
3-amino-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 80562098
[3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methanamine
CID 65407301
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carbonitrile
CID 65378094
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
N-[[1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723191

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The IUPAC name of 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine (CID 112567629) is 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is NC1CCCC(F)(Cc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
The InChIKey is MIAVRHXUQNWNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4N/c15-13(6-2-5-12(19)9-13)8-10-3-1-4-11(7-10)14(16,17)18/h1,3-4,7,12H,2,5-6,8-9,19H2.
What are the key properties of 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine?
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine has a molecular weight of 275.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 112567629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).