4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide

C11H18F3NO — CID 137472622

IUPAC4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide
SMILESCC1CCCC[C@H]1NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-8-4-2-3-5-9(8)15-10(16)6-7-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyHAVKACBBIXCOMN-YGPZHTELSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds3

About 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide

4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide (PubChem CID 137472622) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide
PubChem CID137472622
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide
SMILESCC1CCCC[C@H]1NC(=O)CCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-8-4-2-3-5-9(8)15-10(16)6-7-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)/t8?,9-/m1/s1
InChIKeyHAVKACBBIXCOMN-YGPZHTELSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide (CID 137472622) is 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide is CC1CCCC[C@H]1NC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide?
The InChIKey is HAVKACBBIXCOMN-YGPZHTELSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-8-4-2-3-5-9(8)15-10(16)6-7-11(12,13)14/h8-9H,2-7H2,1H3,(H,15,16)/t8?,9-/m1/s1.
What are the key properties of 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide?
4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide has a molecular weight of 237.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1R)-2-methylcyclohexyl]butanamide is sourced from PubChem (CID 137472622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).