1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile

C14H16FNO — CID 114835013

IUPAC1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile
SMILESCC(O)(Cc1ccc(F)cc1)C1(C#N)CCC1
InChIInChI=1S/C14H16FNO/c1-13(17,14(10-16)7-2-8-14)9-11-3-5-12(15)6-4-11/h3-6,17H,2,7-9H2,1H3
InChIKeyVIGYCDAKYNZTPO-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile

1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile (PubChem CID 114835013) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile
PubChem CID114835013
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile
SMILESCC(O)(Cc1ccc(F)cc1)C1(C#N)CCC1
InChIInChI=1S/C14H16FNO/c1-13(17,14(10-16)7-2-8-14)9-11-3-5-12(15)6-4-11/h3-6,17H,2,7-9H2,1H3
InChIKeyVIGYCDAKYNZTPO-UHFFFAOYSA-N
XLogP2.81
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-Hydroxy-2-phenylpropanenitrile
CID 11040841
3-Hydroxy-3-phenylbutanenitrile
CID 539233
1-(4-Fluorophenyl)-3-hydroxycyclobutane-1-carbonitrile
CID 58380988
(r)-2-Hydroxy-2-phenylpropanenitrile
CID 11019011
2-(4-Fluorophenyl)-2-hydroxypropanenitrile
CID 57349674
(s)-2-(4-Fluorophenyl)-2-hydroxypropanenitrile
CID 98095548
3-Hydroxy-3-methyl-1-[4-(trifluoromethyl)phenyl]cyclobutane-1-carbonitrile
CID 134968797
2-(4-Fluorophenyl)-2-hydroxydec-5-ynenitrile
CID 134969267
(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile
CID 135071122
(2S)-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenyl]propanenitrile
CID 135080681
(2R)-2-hydroxy-2-methyl-3-[3-(trifluoromethyl)phenyl]propanenitrile
CID 135080751
2-Hydroxy-2-phenylpropanenitrile
CID 10866487

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile (CID 114835013) is 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile is CC(O)(Cc1ccc(F)cc1)C1(C#N)CCC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile?
The InChIKey is VIGYCDAKYNZTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-13(17,14(10-16)7-2-8-14)9-11-3-5-12(15)6-4-11/h3-6,17H,2,7-9H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile?
1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile has a molecular weight of 233.29 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-2-hydroxypropan-2-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 114835013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).