4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide

C11H18F3NO2 — CID 79203742

IUPAC4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESO=C(CCCO)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-3-1-4-9(7-8)15-10(17)5-2-6-16/h8-9,16H,1-7H2,(H,15,17)
InChIKeyCRQWNBYUAVUVRK-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds4

About 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide

4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide (PubChem CID 79203742) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
PubChem CID79203742
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide
SMILESO=C(CCCO)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c12-11(13,14)8-3-1-4-9(7-8)15-10(17)5-2-6-16/h8-9,16H,1-7H2,(H,15,17)
InChIKeyCRQWNBYUAVUVRK-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The IUPAC name of 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide (CID 79203742) is 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide is O=C(CCCO)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
The InChIKey is CRQWNBYUAVUVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c12-11(13,14)8-3-1-4-9(7-8)15-10(17)5-2-6-16/h8-9,16H,1-7H2,(H,15,17).
What are the key properties of 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide?
4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide has a molecular weight of 253.26 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]butanamide is sourced from PubChem (CID 79203742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).