4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide

C10H16F3NO2 — CID 103774019

IUPAC4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide
SMILESO=C(CCC(F)(F)F)NC1CCCC1CO
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-4-9(16)14-8-3-1-2-7(8)6-15/h7-8,15H,1-6H2,(H,14,16)
InChIKeyPDYRENADACJQHK-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds4

About 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide

4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide (PubChem CID 103774019) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide
PubChem CID103774019
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide
SMILESO=C(CCC(F)(F)F)NC1CCCC1CO
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)5-4-9(16)14-8-3-1-2-7(8)6-15/h7-8,15H,1-6H2,(H,14,16)
InChIKeyPDYRENADACJQHK-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

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
4,4,4-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]butanamide
CID 65926000
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 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide (CID 103774019) is 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide is O=C(CCC(F)(F)F)NC1CCCC1CO.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide?
The InChIKey is PDYRENADACJQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)5-4-9(16)14-8-3-1-2-7(8)6-15/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide?
4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(hydroxymethyl)cyclopentyl]butanamide is sourced from PubChem (CID 103774019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).