4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid

C16H24F3NO3 — CID 120524479

IUPAC4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CCC(C(F)(F)F)CC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24F3NO3/c17-16(18,19)12-5-1-10(2-6-12)9-14(21)20-13-7-3-11(4-8-13)15(22)23/h10-13H,1-9H2,(H,20,21)(H,22,23)
InChIKeyWDBZFJQXJFRRFR-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.50
Rot. Bonds4

About 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid

4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120524479) has the molecular formula C16H24F3NO3 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120524479
Molecular FormulaC16H24F3NO3
Molecular Weight335.37 g/mol
Exact Mass335.17
IUPAC Name4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(CC1CCC(C(F)(F)F)CC1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24F3NO3/c17-16(18,19)12-5-1-10(2-6-12)9-14(21)20-13-7-3-11(4-8-13)15(22)23/h10-13H,1-9H2,(H,20,21)(H,22,23)
InChIKeyWDBZFJQXJFRRFR-UHFFFAOYSA-N
XLogP3.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-3-[(2-cyclopropylacetyl)amino]cyclopentane-1-carboxylic acid
CID 106320836
3-[(2-cyclopentylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66031106
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 119701811
5-[[2-[5-[(2-cycloheptylacetyl)amino]cyclooctyl]acetyl]amino]cyclooctane-1-carboxylic acid
CID 163822868
2-bromo-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 63679501
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
2-(propan-2-ylamino)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 60718312
N-cyclopentyl-2-cyclopropylacetamide
CID 60753480
N-cyclopropyl-3-(trifluoromethyl)cyclopentane-1-carboxamide
CID 126783084
4-[(2,2,2-trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 14788218
7-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]heptanoic acid
CID 120524020
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid (CID 120524479) is 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid is O=C(CC1CCC(C(F)(F)F)CC1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WDBZFJQXJFRRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3NO3/c17-16(18,19)12-5-1-10(2-6-12)9-14(21)20-13-7-3-11(4-8-13)15(22)23/h10-13H,1-9H2,(H,20,21)(H,22,23).
What are the key properties of 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid?
4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 335.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(trifluoromethyl)cyclohexyl]acetyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120524479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).