4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

C10H16F3NO2 — CID 104957232

IUPAC4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-5-9(16)14-7-3-1-2-4-8(7)15/h7-8,15H,1-6H2,(H,14,16)/t7-,8-/m0/s1
InChIKeyGWHTXAYDHFUHIJ-YUMQZZPRSA-N
MW239.24 g/mol
LogP1.75
Rot. Bonds3

About 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (PubChem CID 104957232) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
PubChem CID104957232
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESO=C(CCC(F)(F)F)N[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-5-9(16)14-7-3-1-2-4-8(7)15/h7-8,15H,1-6H2,(H,14,16)/t7-,8-/m0/s1
InChIKeyGWHTXAYDHFUHIJ-YUMQZZPRSA-N
XLogP1.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (CID 104957232) is 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is O=C(CCC(F)(F)F)N[C@H]1CCCC[C@@H]1O.
What is the InChIKey of 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The InChIKey is GWHTXAYDHFUHIJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)6-5-9(16)14-7-3-1-2-4-8(7)15/h7-8,15H,1-6H2,(H,14,16)/t7-,8-/m0/s1.
What are the key properties of 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide has a molecular weight of 239.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 104957232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).