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

C9H14F3NO2 — CID 62517846

IUPAC3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(CC(F)(F)F)NC1(CO)CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-7(15)13-8(6-14)3-1-2-4-8/h14H,1-6H2,(H,13,15)
InChIKeyYYWMSCNIUXJSQW-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.36
Rot. Bonds3

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

3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide (PubChem CID 62517846) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
PubChem CID62517846
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(CC(F)(F)F)NC1(CO)CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)5-7(15)13-8(6-14)3-1-2-4-8/h14H,1-6H2,(H,13,15)
InChIKeyYYWMSCNIUXJSQW-UHFFFAOYSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 115878374
2-[4-(3,3,3-trifluoropropanoylamino)piperidin-4-yl]acetic acid
CID 114189971
3-amino-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62553033
N-[1-(hydroxymethyl)cyclopentyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242231
4,4,4-trifluoro-3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]-3-(5-methylfuran-2-yl)butanamide
CID 110008785
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
2-[[1-(hydroxymethyl)cyclopentyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 55082339
2-acetamido-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62519619
2-cyclopentyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62517307
N-[1-(aminomethyl)cyclopentyl]-3,3-dimethylbutanamide;hydrochloride
CID 119565263
2-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 62518543

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide (CID 62517846) is 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide is O=C(CC(F)(F)F)NC1(CO)CCCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
The InChIKey is YYWMSCNIUXJSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)5-7(15)13-8(6-14)3-1-2-4-8/h14H,1-6H2,(H,13,15).
What are the key properties of 3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide?
3,3,3-trifluoro-N-[1-(hydroxymethyl)cyclopentyl]propanamide has a molecular weight of 225.21 g/mol, XLogP of 1.36, 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)cyclopentyl]propanamide is sourced from PubChem (CID 62517846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).