2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile

C10H7F2NO — CID 169453655

IUPAC2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile
SMILESN#Cc1c(F)cc(C=CCO)cc1F
InChIInChI=1S/C10H7F2NO/c11-9-4-7(2-1-3-14)5-10(12)8(9)6-13/h1-2,4-5,14H,3H2
InChIKeyRUAGADUUQYHKQK-UHFFFAOYSA-N
MW195.17 g/mol
LogP1.84
Rot. Bonds2

About 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile

2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile (PubChem CID 169453655) has the molecular formula C10H7F2NO and a molecular weight of 195.17 g/mol. Its IUPAC name is 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile.

Molecular Properties

Compound Name2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile
PubChem CID169453655
Molecular FormulaC10H7F2NO
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile
SMILESN#Cc1c(F)cc(C=CCO)cc1F
InChIInChI=1S/C10H7F2NO/c11-9-4-7(2-1-3-14)5-10(12)8(9)6-13/h1-2,4-5,14H,3H2
InChIKeyRUAGADUUQYHKQK-UHFFFAOYSA-N
XLogP1.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,5-trifluorophenyl)prop-2-en-1-ol
CID 79334205
3-(4-amino-3,5-difluorophenyl)prop-2-en-1-ol
CID 169453377
N-[4-(4-cyano-3,5-difluorophenyl)but-3-enyl]acetamide
CID 170489069
4-[2-(2,6-difluoro-4-pent-1-enylphenyl)ethyl]-2,6-difluorobenzonitrile
CID 54506940
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
4-[3,5-difluoro-4-(hydroxymethyl)phenyl]but-3-enenitrile
CID 170800010
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
3-(6-chloro-5-fluoro-3-pyridinyl)prop-2-en-1-ol
CID 169453082
3-(3-amino-5-fluorophenyl)prop-2-en-1-ol
CID 169453038
4-[4-(2,2-difluoroethenyl)-2-fluorophenyl]-2,6-difluorobenzonitrile
CID 21138570
2,6-difluoro-4-[2-(4-pent-1-enylphenyl)ethynyl]benzonitrile
CID 54027574
2-chloro-4-(3-hydroxyprop-1-enyl)benzonitrile
CID 169453327

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile?
The IUPAC name of 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile (CID 169453655) is 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile.
What is the SMILES notation for 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile?
The canonical SMILES for 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile is N#Cc1c(F)cc(C=CCO)cc1F.
What is the InChIKey of 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile?
The InChIKey is RUAGADUUQYHKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO/c11-9-4-7(2-1-3-14)5-10(12)8(9)6-13/h1-2,4-5,14H,3H2.
What are the key properties of 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile?
2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile has a molecular weight of 195.17 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(3-hydroxyprop-1-enyl)benzonitrile is sourced from PubChem (CID 169453655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).