2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile

C15H11ClFNO — CID 102974798

IUPAC2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C15H11ClFNO/c16-13-3-6-15(17)12(9-13)10-19-14-4-1-11(2-5-14)7-8-18/h1-6,9H,7,10H2
InChIKeyAGSAQKKMEKLFBZ-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.12
Rot. Bonds4

About 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile

2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile (PubChem CID 102974798) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile
PubChem CID102974798
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCc2cc(Cl)ccc2F)cc1
InChIInChI=1S/C15H11ClFNO/c16-13-3-6-15(17)12(9-13)10-19-14-4-1-11(2-5-14)7-8-18/h1-6,9H,7,10H2
InChIKeyAGSAQKKMEKLFBZ-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

2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
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3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
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4-[(5-chloro-2-fluorophenyl)methoxy]benzoic acid
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2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
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4-[(2,5-dichlorophenyl)methoxy]benzonitrile
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2-[4-[(2-aminophenyl)methoxy]phenyl]acetonitrile
CID 18069564
4-chloro-1-[(4-ethylphenoxy)methyl]-2-fluorobenzene
CID 114860237
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
4-fluoro-3-[[4-(2-oxopropyl)phenoxy]methyl]benzonitrile
CID 115495414
2-[4-[2-(2,4-dichlorophenyl)-2-oxoethoxy]phenyl]acetonitrile
CID 60624229
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile (CID 102974798) is 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile is N#CCc1ccc(OCc2cc(Cl)ccc2F)cc1.
What is the InChIKey of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile?
The InChIKey is AGSAQKKMEKLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-13-3-6-15(17)12(9-13)10-19-14-4-1-11(2-5-14)7-8-18/h1-6,9H,7,10H2.
What are the key properties of 2-[4-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile?
2-[4-[(5-chloro-2-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-[(5-chloro-2-fluorophenyl)methoxy]phenyl]acetonitrile is sourced from PubChem (CID 102974798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).