3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide

C10H16F3NO2 — CID 62521112

IUPAC3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESO=C(CC(F)(F)F)NC1(CO)CCCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-8(16)14-9(7-15)4-2-1-3-5-9/h15H,1-7H2,(H,14,16)
InChIKeyWMDSCQNCTCIWLO-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.75
Rot. Bonds3

About 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide

3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 62521112) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID62521112
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide
SMILESO=C(CC(F)(F)F)NC1(CO)CCCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-8(16)14-9(7-15)4-2-1-3-5-9/h15H,1-7H2,(H,14,16)
InChIKeyWMDSCQNCTCIWLO-UHFFFAOYSA-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 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide (CID 62521112) is 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide is O=C(CC(F)(F)F)NC1(CO)CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is WMDSCQNCTCIWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)6-8(16)14-9(7-15)4-2-1-3-5-9/h15H,1-7H2,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide?
3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide 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 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 62521112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).