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

C9H14F3NO2 — CID 103773978

IUPAC3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(CC(F)(F)F)NC1CCCC1CO
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-7-3-1-2-6(7)5-14/h6-7,14H,1-5H2,(H,13,15)
InChIKeyGPMXEVSEXRVJRP-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds3

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

3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide (PubChem CID 103773978) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide
PubChem CID103773978
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide
SMILESO=C(CC(F)(F)F)NC1CCCC1CO
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-7-3-1-2-6(7)5-14/h6-7,14H,1-5H2,(H,13,15)
InChIKeyGPMXEVSEXRVJRP-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[(1S,3R)-3-(hydroxymethyl)cyclopentyl]acetamide
CID 117812904
4-(2-Fluoroethyl)-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 175720401
2-(3,3,3-Trifluoropropanoylamino)cyclopentane-1-carboxylic acid
CID 64813039
2-(Trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 64813712
2-(4,4,4-Trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 65711100
3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 65833415
2,2,2-trifluoro-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833844
4,4,4-trifluoro-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 65834820
3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 65925022
2,2,2-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926612
5-(2-Hydroxyethyl)-4-(trifluoromethyl)pyrrolidin-2-one
CID 84072603
(1S,2R)-2-(trifluoroacetamido)cyclopentane-1-carboxylic acid
CID 84689580

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide (CID 103773978) is 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide is O=C(CC(F)(F)F)NC1CCCC1CO.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
The InChIKey is GPMXEVSEXRVJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)4-8(15)13-7-3-1-2-6(7)5-14/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of 3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide?
3,3,3-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]propanamide has a molecular weight of 225.21 g/mol, XLogP of 1.22, 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)cyclopentyl]propanamide is sourced from PubChem (CID 103773978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).