4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid

C14H22F3NO2 — CID 65054678

IUPAC4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-2-1-3-12(8-10)18-11-6-4-9(5-7-11)13(19)20/h9-12,18H,1-8H2,(H,19,20)
InChIKeyKEYLPIQXAIOZND-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.34
Rot. Bonds3

About 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid

4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 65054678) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid
PubChem CID65054678
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCC(C(F)(F)F)C2)CC1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)10-2-1-3-12(8-10)18-11-6-4-9(5-7-11)13(19)20/h9-12,18H,1-8H2,(H,19,20)
InChIKeyKEYLPIQXAIOZND-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Hexadecylamino)cyclohexane-1-carboxylic acid
CID 44279625
4-(2-Cyclohexylacetamido)cyclohexane-1-carboxylic acid
CID 47003034
Cis-4-(methylamino)cyclohexanecarboxylic acid
CID 429561
4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 153044440
2-[2-[(4,4-Difluorocyclohexyl)methyl]piperidin-4-yl]acetic acid;hydrochloride
CID 174645034
2-[2-(Difluoromethyl)piperidin-4-yl]acetic acid
CID 175375755
4-Methylaminocyclohexane-1-carboxylic acid
CID 24197306
4-(Trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 14788218
4-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 54962275
4-(3,3,3-Trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175145
4-(3,3,3-Trifluoropropanoylamino)cyclohexane-1-carboxylic acid
CID 60809511
4-(2,2,2-Trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 60809885

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid (CID 65054678) is 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC2CCCC(C(F)(F)F)C2)CC1.
What is the InChIKey of 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is KEYLPIQXAIOZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)10-2-1-3-12(8-10)18-11-6-4-9(5-7-11)13(19)20/h9-12,18H,1-8H2,(H,19,20).
What are the key properties of 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid?
4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65054678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).