[3-(trifluoromethoxy)cyclohexyl]methanamine

C8H14F3NO — CID 137347142

IUPAC[3-(trifluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2
InChIKeyJQJPUXVNCARTEE-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.04
Rot. Bonds2

About [3-(trifluoromethoxy)cyclohexyl]methanamine

[3-(trifluoromethoxy)cyclohexyl]methanamine (PubChem CID 137347142) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [3-(trifluoromethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethoxy)cyclohexyl]methanamine
PubChem CID137347142
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[3-(trifluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CCCC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2
InChIKeyJQJPUXVNCARTEE-UHFFFAOYSA-N
XLogP2.04
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-but-3-enyl-3-(trifluoromethoxy)cyclohexane
CID 91116227
trifluoromethoxycyclobutane
CID 118087158
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
cis-(1R,3S)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 162553401
(1R)-1-methyl-3-(trifluoromethoxy)cyclohexane
CID 89263483
ethyl 3-(trifluoromethoxy)cyclohexane-1-carboxylate
CID 137347095
cis-(1R,3S)-3-(trifluoromethoxy)cyclopentan-1-amine;dihydrochloride
CID 175891524
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
1-(2-cyclohexylethyl)-4-(trifluoromethoxy)cyclohexane
CID 90243596
2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine
CID 162595064
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
[3-(trifluoromethoxy)cyclobutyl]methanesulfonamide
CID 167725529

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethoxy)cyclohexyl]methanamine?
The IUPAC name of [3-(trifluoromethoxy)cyclohexyl]methanamine (CID 137347142) is [3-(trifluoromethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [3-(trifluoromethoxy)cyclohexyl]methanamine?
The canonical SMILES for [3-(trifluoromethoxy)cyclohexyl]methanamine is NCC1CCCC(OC(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethoxy)cyclohexyl]methanamine?
The InChIKey is JQJPUXVNCARTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h6-7H,1-5,12H2.
What are the key properties of [3-(trifluoromethoxy)cyclohexyl]methanamine?
[3-(trifluoromethoxy)cyclohexyl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 137347142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).