2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile

C11H12FN — CID 84767390

IUPAC2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1cc(F)cc(CC#N)c1
InChIInChI=1S/C11H12FN/c1-8(2)10-5-9(3-4-13)6-11(12)7-10/h5-8H,3H2,1-2H3
InChIKeySGAKJRYQHDNKLO-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.02
Rot. Bonds2

About 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile

2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile (PubChem CID 84767390) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
PubChem CID84767390
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile
SMILESCC(C)c1cc(F)cc(CC#N)c1
InChIInChI=1S/C11H12FN/c1-8(2)10-5-9(3-4-13)6-11(12)7-10/h5-8H,3H2,1-2H3
InChIKeySGAKJRYQHDNKLO-UHFFFAOYSA-N
XLogP3.02
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-fluoro-5-propan-2-ylphenyl)methanol
CID 59192640
2-(3-ethyl-5-fluorophenyl)acetonitrile
CID 84764635
2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
CID 84771980
1-(3-fluoro-5-propan-2-ylphenyl)-3-methylbutan-2-ol
CID 130224243
3-(3-fluoro-5-propan-2-ylphenyl)propanal
CID 117284667
2-[3-(1-fluoroethyl)phenyl]acetonitrile
CID 84764629
2-[4-(4-propan-2-ylphenyl)phenyl]acetonitrile
CID 82083442
1-(difluoromethyl)-3-fluoro-5-propan-2-ylbenzene
CID 118404669
2-(3,5-difluorophenyl)acetonitrile;1-(3,5-difluorophenyl)cyclopropane-1-carbonitrile
CID 161146367
1-(3-fluoro-5-propan-2-ylphenyl)cyclopropane-1-carbonitrile
CID 84777395
2-[3,4,5-tris(methylsulfanyl)phenyl]acetonitrile
CID 117391947
2-(5-fluoro-3-pyridinyl)acetonitrile
CID 53403707

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile (CID 84767390) is 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile is CC(C)c1cc(F)cc(CC#N)c1.
What is the InChIKey of 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile?
The InChIKey is SGAKJRYQHDNKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-8(2)10-5-9(3-4-13)6-11(12)7-10/h5-8H,3H2,1-2H3.
What are the key properties of 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile?
2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile has a molecular weight of 177.22 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-propan-2-ylphenyl)acetonitrile is sourced from PubChem (CID 84767390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).