4-(3-fluoro-4-methylphenoxy)benzonitrile

C14H10FNO — CID 107169205

IUPAC4-(3-fluoro-4-methylphenoxy)benzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C14H10FNO/c1-10-2-5-13(8-14(10)15)17-12-6-3-11(9-16)4-7-12/h2-8H,1H3
InChIKeyNQUKLXQPRPNZDJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.80
Rot. Bonds2

About 4-(3-fluoro-4-methylphenoxy)benzonitrile

4-(3-fluoro-4-methylphenoxy)benzonitrile (PubChem CID 107169205) has the molecular formula C14H10FNO and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenoxy)benzonitrile
PubChem CID107169205
Molecular FormulaC14H10FNO
Molecular Weight227.24 g/mol
Exact Mass227.07
IUPAC Name4-(3-fluoro-4-methylphenoxy)benzonitrile
SMILESCc1ccc(Oc2ccc(C#N)cc2)cc1F
InChIInChI=1S/C14H10FNO/c1-10-2-5-13(8-14(10)15)17-12-6-3-11(9-16)4-7-12/h2-8H,1H3
InChIKeyNQUKLXQPRPNZDJ-UHFFFAOYSA-N
XLogP3.80
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-amino-2-fluoro-5-methylphenoxy)benzonitrile
CID 114417635
3-(2-fluoro-4-methoxyphenyl)-4-methylbenzonitrile
CID 172914864
5-(3-fluoro-4-methylphenoxy)pyrazine-2-carbonitrile
CID 99836740
4-(8-methylnaphthalen-2-yl)oxybenzonitrile
CID 126674699
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
4-(4-cyanophenoxy)-2-methylbenzenesulfonamide
CID 43436544
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
4-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]benzonitrile
CID 140975826
4-(2,5-difluorophenoxy)benzonitrile
CID 63269334
4-(5-tert-butyl-2-methylphenoxy)benzonitrile
CID 140898828
4-(3-chloro-4-methylsulfanylphenoxy)benzonitrile
CID 66844095
4-[6-(4-cyanophenoxy)-1,3,4,5,7,8-hexafluoronaphthalen-2-yl]oxybenzonitrile
CID 175999058

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenoxy)benzonitrile?
The IUPAC name of 4-(3-fluoro-4-methylphenoxy)benzonitrile (CID 107169205) is 4-(3-fluoro-4-methylphenoxy)benzonitrile.
What is the SMILES notation for 4-(3-fluoro-4-methylphenoxy)benzonitrile?
The canonical SMILES for 4-(3-fluoro-4-methylphenoxy)benzonitrile is Cc1ccc(Oc2ccc(C#N)cc2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenoxy)benzonitrile?
The InChIKey is NQUKLXQPRPNZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO/c1-10-2-5-13(8-14(10)15)17-12-6-3-11(9-16)4-7-12/h2-8H,1H3.
What are the key properties of 4-(3-fluoro-4-methylphenoxy)benzonitrile?
4-(3-fluoro-4-methylphenoxy)benzonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenoxy)benzonitrile is sourced from PubChem (CID 107169205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).