2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile

C14H18FNO — CID 114834992

IUPAC2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile
SMILESCCCC(C#N)C(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO/c1-3-6-12(10-16)14(2,17)9-11-7-4-5-8-13(11)15/h4-5,7-8,12,17H,3,6,9H2,1-2H3
InChIKeyUVNJINPDYSXBJG-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.06
Rot. Bonds5

About 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile

2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile (PubChem CID 114834992) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile
PubChem CID114834992
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile
SMILESCCCC(C#N)C(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H18FNO/c1-3-6-12(10-16)14(2,17)9-11-7-4-5-8-13(11)15/h4-5,7-8,12,17H,3,6,9H2,1-2H3
InChIKeyUVNJINPDYSXBJG-UHFFFAOYSA-N
XLogP3.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenyl)-1-hydroxyethyl]pentanenitrile
CID 79411630
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
methyl 2-ethyl-4-(2-fluorophenyl)-3-hydroxy-3-methylbutanoate
CID 114834429
3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
CID 114831787
2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
CID 75532046
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
CID 114831782
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
3-(2-fluorophenyl)-2-N-hex-1-yn-3-yl-2-methylpropane-1,2-diamine
CID 106228166
methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile?
The IUPAC name of 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile (CID 114834992) is 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile?
The canonical SMILES for 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile is CCCC(C#N)C(C)(O)Cc1ccccc1F.
What is the InChIKey of 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile?
The InChIKey is UVNJINPDYSXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-6-12(10-16)14(2,17)9-11-7-4-5-8-13(11)15/h4-5,7-8,12,17H,3,6,9H2,1-2H3.
What are the key properties of 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile?
2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile has a molecular weight of 235.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile is sourced from PubChem (CID 114834992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).