1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile

C9H14FNO — CID 131021136

IUPAC1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile
SMILESN#CC1(CC(O)CF)CCCC1
InChIInChI=1S/C9H14FNO/c10-6-8(12)5-9(7-11)3-1-2-4-9/h8,12H,1-6H2
InChIKeyZKKGJKUWCSAGJS-UHFFFAOYSA-N
MW171.21 g/mol
LogP1.79
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile

1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile (PubChem CID 131021136) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile
PubChem CID131021136
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile
SMILESN#CC1(CC(O)CF)CCCC1
InChIInChI=1S/C9H14FNO/c10-6-8(12)5-9(7-11)3-1-2-4-9/h8,12H,1-6H2
InChIKeyZKKGJKUWCSAGJS-UHFFFAOYSA-N
XLogP1.79
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopentyl-3-hydroxypropanenitrile
CID 70370525
(1-Fluorocyclopentyl)(hydroxy)acetonitrile
CID 12728544
(2S)-2-(1-fluorocyclohexyl)-2-hydroxyacetonitrile
CID 98091966
3-Cyclohexyl-2-fluoro-3-hydroxypropanenitrile
CID 102084543
2-(1-Fluorocyclohexyl)-2-hydroxyacetonitrile
CID 12728543
3-(3,3-Difluorocyclopentyl)-3-hydroxypropanenitrile
CID 134603210
(2R)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile
CID 98048056
(2S)-2-(1-fluorocyclopentyl)-2-hydroxyacetonitrile
CID 98048057
1-(3-Fluoro-2-hydroxypropyl)cyclobutane-1-carbonitrile
CID 127008564
1-(3-Fluoro-2-hydroxypropyl)cyclohexane-1-carbonitrile
CID 127008566
(2S,3S)-3-cyclohexyl-2-fluoro-3-hydroxypropanenitrile
CID 130918427
1-(3-Fluoro-2-hydroxypropyl)-2-methylcyclopentane-1-carbonitrile
CID 130963439

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile (CID 131021136) is 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile is N#CC1(CC(O)CF)CCCC1.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile?
The InChIKey is ZKKGJKUWCSAGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-6-8(12)5-9(7-11)3-1-2-4-9/h8,12H,1-6H2.
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile?
1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile has a molecular weight of 171.21 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)cyclopentane-1-carbonitrile is sourced from PubChem (CID 131021136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).