2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile

C15H11ClFNO — CID 102794503

IUPAC2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H11ClFNO/c16-14-6-3-12(9-15(14)17)10-19-13-4-1-11(2-5-13)7-8-18/h1-6,9H,7,10H2
InChIKeyWXMCRQWWXGKPRW-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.12
Rot. Bonds4

About 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile

2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 102794503) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
PubChem CID102794503
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H11ClFNO/c16-14-6-3-12(9-15(14)17)10-19-13-4-1-11(2-5-13)7-8-18/h1-6,9H,7,10H2
InChIKeyWXMCRQWWXGKPRW-UHFFFAOYSA-N
XLogP4.12
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 102974798
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CID 107878038
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4-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]butan-2-one
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2,4-diamino-6-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]pyrimidine-5-carbonitrile
CID 169396608
2-chloro-4-[(3,4-difluorophenyl)methoxy]benzonitrile
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1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
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1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
CID 99794707

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile (CID 102794503) is 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is WXMCRQWWXGKPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-14-6-3-12(9-15(14)17)10-19-13-4-1-11(2-5-13)7-8-18/h1-6,9H,7,10H2.
What are the key properties of 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile?
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile has a molecular weight of 275.71 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 102794503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).