1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

C8H12F3NO2 — CID 22561606

IUPAC1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-1-3-7(12,4-2-5)6(13)14/h5H,1-4,12H2,(H,13,14)
InChIKeyUHFDZVXSXVVKAI-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.52
Rot. Bonds1

About 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid

1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (PubChem CID 22561606) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
PubChem CID22561606
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
SMILESNC1(C(=O)O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)5-1-3-7(12,4-2-5)6(13)14/h5H,1-4,12H2,(H,13,14)
InChIKeyUHFDZVXSXVVKAI-UHFFFAOYSA-N
XLogP1.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylate;hydrochloride
CID 67170841
2-[1-amino-4-(trifluoromethyl)cyclohexyl]acetic acid
CID 64758784
1-amino-4-(2,2,2-trifluoroethoxy)cyclohexane-1-carboxylic acid
CID 59562786
cis-(1S,2S)-1-amino-2-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 67376517
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
1-formamido-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64756305
1-[acetyl(methyl)amino]-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 64753895
1-aminocyclopentane-1-carboxylic acid
CID 2901
3-amino-1-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
CID 107320831
1-(2,2,2-trifluoroethylamino)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 64755902
1-amino-N-[4-(trifluoromethyl)cyclohexyl]cyclobutane-1-carboxamide
CID 81178897
1-amino-4-(2-iodoethenyl)cyclohexane-1-carboxylic acid
CID 173309176

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid (CID 22561606) is 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is NC1(C(=O)O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
The InChIKey is UHFDZVXSXVVKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)5-1-3-7(12,4-2-5)6(13)14/h5H,1-4,12H2,(H,13,14).
What are the key properties of 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid?
1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid has a molecular weight of 211.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 22561606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).