(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile

C10H7ClF3N — CID 125483548

IUPAC(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
SMILESN#C[C@H](CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H7ClF3N/c11-9-3-1-2-7(4-9)8(6-15)5-10(12,13)14/h1-4,8H,5H2/t8-/m0/s1
InChIKeyQZHURNOBXGCTKZ-QMMMGPOBSA-N
MW233.62 g/mol
LogP3.90
Rot. Bonds2

About (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile

(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile (PubChem CID 125483548) has the molecular formula C10H7ClF3N and a molecular weight of 233.62 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
PubChem CID125483548
Molecular FormulaC10H7ClF3N
Molecular Weight233.62 g/mol
Exact Mass233.02
IUPAC Name(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile
SMILESN#C[C@H](CC(F)(F)F)c1cccc(Cl)c1
InChIInChI=1S/C10H7ClF3N/c11-9-3-1-2-7(4-9)8(6-15)5-10(12,13)14/h1-4,8H,5H2/t8-/m0/s1
InChIKeyQZHURNOBXGCTKZ-QMMMGPOBSA-N
XLogP3.90
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.62
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-chlorophenyl)butanenitrile
CID 175457455
2-(4-chlorophenyl)-4,4,4-trifluorobutanenitrile
CID 72723440
2-(3-chlorophenyl)pent-4-enenitrile
CID 14326072
2-(3-chlorophenyl)-3-trimethylsilylpropanenitrile
CID 11031921
(2R)-4,4,4-trifluoro-2-(4-methylphenyl)butanenitrile
CID 125492404
2-(3-chlorophenyl)-3-pyridin-4-ylpropanenitrile
CID 82085002
[(3-chlorophenyl)-cyanomethyl]azanium chloride
CID 11206472
(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171219105
N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
2-(3-chlorophenyl)-3-piperazin-1-ylpropanenitrile
CID 82511750
3-(3-chlorophenyl)sulfanyl-2-phenylpropanenitrile
CID 64537162
1-chloro-3-(1,1,1-trifluoropropan-2-yl)benzene
CID 83381765

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile?
The IUPAC name of (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile (CID 125483548) is (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile.
What is the SMILES notation for (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile?
The canonical SMILES for (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile is N#C[C@H](CC(F)(F)F)c1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile?
The InChIKey is QZHURNOBXGCTKZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H7ClF3N/c11-9-3-1-2-7(4-9)8(6-15)5-10(12,13)14/h1-4,8H,5H2/t8-/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile?
(2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile has a molecular weight of 233.62 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenyl)-4,4,4-trifluorobutanenitrile is sourced from PubChem (CID 125483548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).