3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide

C10H16F3NO2 — CID 65113661

IUPAC3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-8(15)14-7-9(16)4-2-1-3-5-9/h16H,1-7H2,(H,14,15)
InChIKeyMHZYZHPGIHWOPD-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.75
Rot. Bonds3

About 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide

3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide (PubChem CID 65113661) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
PubChem CID65113661
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-8(15)14-7-9(16)4-2-1-3-5-9/h16H,1-7H2,(H,14,15)
InChIKeyMHZYZHPGIHWOPD-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

Analyze 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide (CID 65113661) is 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide is O=C(CC(F)(F)F)NCC1(O)CCCCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is MHZYZHPGIHWOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)6-8(15)14-7-9(16)4-2-1-3-5-9/h16H,1-7H2,(H,14,15).
What are the key properties of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide?
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]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-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 65113661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).