3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide

C10H16F3NO2 — CID 103816678

IUPAC3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
SMILESO=C(CC(F)(F)F)NC1CCCCC1CO
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-9(16)14-8-4-2-1-3-7(8)6-15/h7-8,15H,1-6H2,(H,14,16)
InChIKeyOEFGXYPDJCMSKK-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds3

About 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide

3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide (PubChem CID 103816678) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
PubChem CID103816678
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide
SMILESO=C(CC(F)(F)F)NC1CCCCC1CO
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-9(16)14-8-4-2-1-3-7(8)6-15/h7-8,15H,1-6H2,(H,14,16)
InChIKeyOEFGXYPDJCMSKK-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
4-[[2-(hydroxymethyl)cyclohexyl]amino]-4-oxobutanoic acid
CID 106359284
[(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamic acid
CID 141194189
2-(tert-butylamino)-N-[2-(hydroxymethyl)cyclohexyl]acetamide
CID 103860522
N-[2-[[(1S,2R)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235341
N-[2-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]-2-oxoethyl]-3,3-dimethylbutanamide
CID 97235338
2-cyclohexyl-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 103751275
4-cyclohexyl-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 103798365
[(1R,2R)-2-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 99610237
4-chloro-N-[2-(hydroxymethyl)cyclohexyl]butanamide
CID 106359885
N-[2-(hydroxymethyl)cyclohexyl]-3-piperidin-4-ylpropanamide
CID 106361419
N-[2-(hydroxymethyl)cyclopentyl]-3-sulfanylpropanamide
CID 106367884

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide (CID 103816678) is 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide is O=C(CC(F)(F)F)NC1CCCCC1CO.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
The InChIKey is OEFGXYPDJCMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)5-9(16)14-8-4-2-1-3-7(8)6-15/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide?
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclohexyl]propanamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 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-[2-(hydroxymethyl)cyclohexyl]propanamide is sourced from PubChem (CID 103816678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).