4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

C13H15F4N — CID 112562450

IUPAC4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCC(F)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H15F4N/c14-12(6-4-11(18)5-7-12)9-2-1-3-10(8-9)13(15,16)17/h1-3,8,11H,4-7,18H2
InChIKeyMTCZXKCZHGMLIP-UHFFFAOYSA-N
MW261.26 g/mol
LogP3.77
Rot. Bonds1

About 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine

4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (PubChem CID 112562450) has the molecular formula C13H15F4N and a molecular weight of 261.26 g/mol. Its IUPAC name is 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
PubChem CID112562450
Molecular FormulaC13H15F4N
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
SMILESNC1CCC(F)(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H15F4N/c14-12(6-4-11(18)5-7-12)9-2-1-3-10(8-9)13(15,16)17/h1-3,8,11H,4-7,18H2
InChIKeyMTCZXKCZHGMLIP-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-cyclopropyloxyphenyl)-4-fluorocyclohexan-1-amine
CID 114523630
cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 139444270
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
(1R,3S,4S)-3,4-diamino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;dihydrochloride
CID 139433706
1-(1-isocyanocyclopropyl)-3-(trifluoromethyl)benzene
CID 105464720
4-(3,4-dichlorophenyl)-4-fluorocyclohexan-1-amine
CID 112562268
(2R)-2-(1,1,2,2,2-pentafluoroethyl)-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 98042591
1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
1-[3-fluoro-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]-2-methylpropan-2-amine
CID 120858470
2,5-dimethyl-2-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 117272242
1-(1-isocyanatocyclopropyl)-3-(trifluoromethyl)benzene
CID 83412563
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine (CID 112562450) is 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is NC1CCC(F)(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
The InChIKey is MTCZXKCZHGMLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N/c14-12(6-4-11(18)5-7-12)9-2-1-3-10(8-9)13(15,16)17/h1-3,8,11H,4-7,18H2.
What are the key properties of 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine?
4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine has a molecular weight of 261.26 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine is sourced from PubChem (CID 112562450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).