2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile

C14H18FNO — CID 114835027

IUPAC2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile
SMILESCCC(C)(C#N)C(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-4-13(2,10-16)14(3,17)9-11-6-5-7-12(15)8-11/h5-8,17H,4,9H2,1-3H3
InChIKeyMHKSEZJCAZCVBK-UHFFFAOYSA-N
MW235.30 g/mol
LogP3.06
Rot. Bonds4

About 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile

2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile (PubChem CID 114835027) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile.

Molecular Properties

Compound Name2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile
PubChem CID114835027
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile
SMILESCCC(C)(C#N)C(C)(O)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-4-13(2,10-16)14(3,17)9-11-6-5-7-12(15)8-11/h5-8,17H,4,9H2,1-3H3
InChIKeyMHKSEZJCAZCVBK-UHFFFAOYSA-N
XLogP3.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
3-(3-fluorophenyl)-2-methyl-2-phenylpropanenitrile
CID 82140436
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1,2-bis(3-fluorophenyl)butan-2-ol
CID 114872358
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
2-(5-fluoro-2-methylphenyl)-1-(3-fluorophenyl)propan-2-ol
CID 114833350
1-(4-chlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833346
(2S)-2-(3-fluorophenyl)-2-hydroxypropanenitrile
CID 98747909
2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831859
N-ethyl-3-[(3-fluorophenyl)methyl]pentan-3-amine
CID 71052511

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile?
The IUPAC name of 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile (CID 114835027) is 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile.
What is the SMILES notation for 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile?
The canonical SMILES for 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile is CCC(C)(C#N)C(C)(O)Cc1cccc(F)c1.
What is the InChIKey of 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile?
The InChIKey is MHKSEZJCAZCVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-13(2,10-16)14(3,17)9-11-6-5-7-12(15)8-11/h5-8,17H,4,9H2,1-3H3.
What are the key properties of 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile?
2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile has a molecular weight of 235.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(3-fluorophenyl)-3-hydroxy-2,3-dimethylbutanenitrile is sourced from PubChem (CID 114835027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).