N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide

C9H14F3NO2 — CID 103723234

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)5-13-8(15)6-3-1-2-4-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyLQKOFYCQWRGZEW-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.22
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide (PubChem CID 103723234) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
PubChem CID103723234
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)7(14)5-13-8(15)6-3-1-2-4-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyLQKOFYCQWRGZEW-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

4-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclohexane-1-carboxamide
CID 103795776
4-methylidene-N-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 136585263
3-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119744739
(2S)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrolidine-2-carboxamide
CID 103795786
2-cycloheptyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 113252022
N-[3-(cyclopentanecarbonylamino)-2,2-bis[(cyclopentanecarbonylamino)methyl]propyl]cyclopentanecarboxamide
CID 153313338
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103773766
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
3-(cyclobutanecarbonylamino)-2-hydroxypropanoic acid
CID 66167867
N-[(2R)-2,3-dihydroxypropyl]cyclobutanecarboxamide
CID 165487313

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide (CID 103723234) is N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide is O=C(NCC(O)C(F)(F)F)C1CCCC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide?
The InChIKey is LQKOFYCQWRGZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)7(14)5-13-8(15)6-3-1-2-4-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide 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 N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentanecarboxamide is sourced from PubChem (CID 103723234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).