2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile

C11H10FNO — CID 170476567

IUPAC2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
SMILESN#Cc1c(F)cccc1C=CCCO
InChIInChI=1S/C11H10FNO/c12-11-6-3-5-9(10(11)8-13)4-1-2-7-14/h1,3-6,14H,2,7H2
InChIKeyLAIGCVRGSKUCSM-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.09
Rot. Bonds3

About 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile

2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile (PubChem CID 170476567) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
PubChem CID170476567
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile
SMILESN#Cc1c(F)cccc1C=CCCO
InChIInChI=1S/C11H10FNO/c12-11-6-3-5-9(10(11)8-13)4-1-2-7-14/h1,3-6,14H,2,7H2
InChIKeyLAIGCVRGSKUCSM-UHFFFAOYSA-N
XLogP2.09
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-6-(4-hydroxybut-1-enyl)phenol
CID 170476150
tert-butyl N-[4-(2-cyano-3-fluorophenyl)but-3-enyl]carbamate
CID 170490467
S-[3-(2-cyano-3-fluorophenyl)prop-2-enyl] ethanethioate
CID 169457216
2-fluoro-6-(4-hydroxybut-1-enyl)benzoic acid
CID 170476801
4-(3-fluoro-2-methoxyphenyl)but-3-en-1-ol
CID 170476426
(E)-4-(2,3-dichlorophenyl)but-3-en-1-ol
CID 173173515
2-chloro-3-(4-hydroxybut-1-enyl)phenol
CID 170476157
2-[4-fluoro-3-(4-hydroxybut-1-enyl)phenyl]acetonitrile
CID 170476934
4-(2-chloro-3-fluorophenyl)but-3-en-1-amine
CID 170486532
2-[(2-cyano-3-fluorophenyl)methyl]-6-fluorobenzonitrile
CID 167304274
4-(2-amino-4,5-difluorophenyl)but-3-en-1-ol
CID 170476602
4-(2-amino-3-methylphenyl)but-3-en-1-ol
CID 170476272

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile?
The IUPAC name of 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile (CID 170476567) is 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile is N#Cc1c(F)cccc1C=CCCO.
What is the InChIKey of 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile?
The InChIKey is LAIGCVRGSKUCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-11-6-3-5-9(10(11)8-13)4-1-2-7-14/h1,3-6,14H,2,7H2.
What are the key properties of 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile?
2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile has a molecular weight of 191.20 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-hydroxybut-1-enyl)benzonitrile is sourced from PubChem (CID 170476567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).