4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile

C17H15F2N — CID 58840233

IUPAC4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile
SMILESCCCCc1ccc(-c2ccc(C#N)c(F)c2)c(F)c1
InChIInChI=1S/C17H15F2N/c1-2-3-4-12-5-8-15(17(19)9-12)13-6-7-14(11-20)16(18)10-13/h5-10H,2-4H2,1H3
InChIKeyMZDCMUWHFBXKIM-UHFFFAOYSA-N
MW271.31 g/mol
LogP4.85
Rot. Bonds4

About 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile

4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile (PubChem CID 58840233) has the molecular formula C17H15F2N and a molecular weight of 271.31 g/mol. Its IUPAC name is 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile
PubChem CID58840233
Molecular FormulaC17H15F2N
Molecular Weight271.31 g/mol
Exact Mass271.12
IUPAC Name4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile
SMILESCCCCc1ccc(-c2ccc(C#N)c(F)c2)c(F)c1
InChIInChI=1S/C17H15F2N/c1-2-3-4-12-5-8-15(17(19)9-12)13-6-7-14(11-20)16(18)10-13/h5-10H,2-4H2,1H3
InChIKeyMZDCMUWHFBXKIM-UHFFFAOYSA-N
XLogP4.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
CID 90209321
4-[2-[4-(4-butyl-2-fluorophenyl)-2-fluorophenyl]ethynyl]benzonitrile
CID 171752218
4-(7-butylphenanthren-2-yl)-2-fluorobenzonitrile
CID 139884069
2-(4-cyano-3-fluorophenyl)-4-pentylbenzoic acid
CID 46864040
2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
4-[4-(4,4-difluorobut-3-enyl)-2-fluorophenyl]-2-fluorobenzonitrile
CID 21138578
2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile
CID 58839975
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130
2-(4-cyano-3-fluorophenyl)-4-heptylbenzoate
CID 46864037
4-[4-[4-[4-[difluoro-(4-pentylphenyl)methoxy]-2-fluorophenyl]phenyl]-2-fluorophenyl]-2-fluorobenzonitrile
CID 59328600
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020

Frequently Asked Questions

What is the IUPAC name of 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile?
The IUPAC name of 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile (CID 58840233) is 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile.
What is the SMILES notation for 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile?
The canonical SMILES for 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile is CCCCc1ccc(-c2ccc(C#N)c(F)c2)c(F)c1.
What is the InChIKey of 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile?
The InChIKey is MZDCMUWHFBXKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N/c1-2-3-4-12-5-8-15(17(19)9-12)13-6-7-14(11-20)16(18)10-13/h5-10H,2-4H2,1H3.
What are the key properties of 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile?
4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile has a molecular weight of 271.31 g/mol, XLogP of 4.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile is sourced from PubChem (CID 58840233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).