2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile

C20H15F2N — CID 58839975

IUPAC2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile
SMILESCCCc1ccc2c(F)c(-c3ccc(C#N)c(F)c3)ccc2c1
InChIInChI=1S/C20H15F2N/c1-2-3-13-4-8-17-14(10-13)7-9-18(20(17)22)15-5-6-16(12-23)19(21)11-15/h4-11H,2-3H2,1H3
InChIKeyLKKKAXUZVLIFFM-UHFFFAOYSA-N
MW307.34 g/mol
LogP5.61
Rot. Bonds3

About 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile

2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile (PubChem CID 58839975) has the molecular formula C20H15F2N and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile
PubChem CID58839975
Molecular FormulaC20H15F2N
Molecular Weight307.34 g/mol
Exact Mass307.12
IUPAC Name2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile
SMILESCCCc1ccc2c(F)c(-c3ccc(C#N)c(F)c3)ccc2c1
InChIInChI=1S/C20H15F2N/c1-2-3-13-4-8-17-14(10-13)7-9-18(20(17)22)15-5-6-16(12-23)19(21)11-15/h4-11H,2-3H2,1H3
InChIKeyLKKKAXUZVLIFFM-UHFFFAOYSA-N
XLogP5.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.34
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(7-butylphenanthren-2-yl)-2-fluorobenzonitrile
CID 139884069
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020
4-(4-butyl-2-fluorophenyl)-2-fluorobenzonitrile
CID 58840233
4-[2-[1-fluoro-6-[2-(4-propylphenyl)ethyl]naphthalen-2-yl]ethynyl]benzonitrile
CID 139850846
4-[1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalen-2-yl]benzonitrile
CID 139850430
4-[6-(4-ethylcyclohexyl)-1-fluoronaphthalen-2-yl]-2-fluorobenzonitrile
CID 139823028
2-propyl-7-(3,4,5-trifluorophenyl)phenanthrene
CID 22044943
4-[2-(6-ethyl-1-fluoronaphthalen-2-yl)ethynyl]-2-fluorobenzonitrile
CID 139851411
2-fluoro-4-[2-[1-fluoro-6-[2-(2-fluoro-4-hexylphenyl)ethyl]naphthalen-2-yl]ethyl]benzonitrile
CID 139871731
2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzonitrile
CID 90209321
2,6-difluoro-4-(1-fluoro-7-heptylphenanthren-2-yl)benzonitrile
CID 22044556

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile?
The IUPAC name of 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile (CID 58839975) is 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile is CCCc1ccc2c(F)c(-c3ccc(C#N)c(F)c3)ccc2c1.
What is the InChIKey of 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile?
The InChIKey is LKKKAXUZVLIFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N/c1-2-3-13-4-8-17-14(10-13)7-9-18(20(17)22)15-5-6-16(12-23)19(21)11-15/h4-11H,2-3H2,1H3.
What are the key properties of 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile?
2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile has a molecular weight of 307.34 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-fluoro-6-propylnaphthalen-2-yl)benzonitrile is sourced from PubChem (CID 58839975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).