2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile

C12H11F2NO — CID 118469344

IUPAC2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile
SMILESN#Cc1ccc(C2(F)CCCC2O)cc1F
InChIInChI=1S/C12H11F2NO/c13-10-6-9(4-3-8(10)7-15)12(14)5-1-2-11(12)16/h3-4,6,11,16H,1-2,5H2
InChIKeyWVYFFDDXAKNSRP-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.41
Rot. Bonds1

About 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile

2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile (PubChem CID 118469344) has the molecular formula C12H11F2NO and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile
PubChem CID118469344
Molecular FormulaC12H11F2NO
Molecular Weight223.22 g/mol
Exact Mass223.08
IUPAC Name2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile
SMILESN#Cc1ccc(C2(F)CCCC2O)cc1F
InChIInChI=1S/C12H11F2NO/c13-10-6-9(4-3-8(10)7-15)12(14)5-1-2-11(12)16/h3-4,6,11,16H,1-2,5H2
InChIKeyWVYFFDDXAKNSRP-UHFFFAOYSA-N
XLogP2.41
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile?
The IUPAC name of 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile (CID 118469344) is 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile is N#Cc1ccc(C2(F)CCCC2O)cc1F.
What is the InChIKey of 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile?
The InChIKey is WVYFFDDXAKNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO/c13-10-6-9(4-3-8(10)7-15)12(14)5-1-2-11(12)16/h3-4,6,11,16H,1-2,5H2.
What are the key properties of 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile?
2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile has a molecular weight of 223.22 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-fluoro-2-hydroxycyclopentyl)benzonitrile is sourced from PubChem (CID 118469344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).