[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine

C8H13F4N — CID 84733655

IUPAC[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1(F)C(F)(F)F
InChIInChI=1S/C8H13F4N/c9-7(8(10,11)12)4-2-1-3-6(7)5-13/h6H,1-5,13H2
InChIKeyCHVBPFITJCPZFW-UHFFFAOYSA-N
MW199.19 g/mol
LogP2.41
Rot. Bonds1

About [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine

[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine (PubChem CID 84733655) has the molecular formula C8H13F4N and a molecular weight of 199.19 g/mol. Its IUPAC name is [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine
PubChem CID84733655
Molecular FormulaC8H13F4N
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC Name[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine
SMILESNCC1CCCCC1(F)C(F)(F)F
InChIInChI=1S/C8H13F4N/c9-7(8(10,11)12)4-2-1-3-6(7)5-13/h6H,1-5,13H2
InChIKeyCHVBPFITJCPZFW-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 95241025
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
(2,2-dimethylcyclohexyl)methanamine
CID 22484483
[(2R)-spiro[2.4]heptan-2-yl]methanamine
CID 94557824
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
3-oxaspiro[5.5]undecan-11-ylmethanamine
CID 83906798
[2-(aminomethyl)-2-cyclohexylcyclohexyl]methanamine
CID 171792538
2-(2-aminoethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 84733431
cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol
CID 95241014
2-spiro[3.5]nonan-9-ylethanamine
CID 83905636
trans-(1S,2S)-2-fluoro-2-propan-2-ylcyclohexan-1-amine
CID 174265747

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine?
The IUPAC name of [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine (CID 84733655) is [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine.
What is the SMILES notation for [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine?
The canonical SMILES for [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine is NCC1CCCCC1(F)C(F)(F)F.
What is the InChIKey of [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine?
The InChIKey is CHVBPFITJCPZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4N/c9-7(8(10,11)12)4-2-1-3-6(7)5-13/h6H,1-5,13H2.
What are the key properties of [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine?
[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine has a molecular weight of 199.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine is sourced from PubChem (CID 84733655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).