2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile

C11H8F3N — CID 169432307

IUPAC2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile
SMILESN#Cc1ccccc1[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C11H8F3N/c12-11(13,14)10-5-9(10)8-4-2-1-3-7(8)6-15/h1-4,9-10H,5H2/t9-,10+/m0/s1
InChIKeyZDZXNAKSROJFGJ-VHSXEESVSA-N
MW211.19 g/mol
LogP3.22
Rot. Bonds1

About 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile

2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile (PubChem CID 169432307) has the molecular formula C11H8F3N and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile.

Molecular Properties

Compound Name2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile
PubChem CID169432307
Molecular FormulaC11H8F3N
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile
SMILESN#Cc1ccccc1[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C11H8F3N/c12-11(13,14)10-5-9(10)8-4-2-1-3-7(8)6-15/h1-4,9-10H,5H2/t9-,10+/m0/s1
InChIKeyZDZXNAKSROJFGJ-VHSXEESVSA-N
XLogP3.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(bromomethyl)cyclopropyl]benzonitrile
CID 107937162
2-chloro-6-[2-(trifluoromethyl)cyclopropyl]pyridine-3-carbonitrile
CID 169227018
2-cycloheptylbenzonitrile
CID 117288835
2-[(1S,2S)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropyl]benzonitrile
CID 168861804
2-[(2S)-azetidin-2-yl]benzonitrile
CID 55278717
(3R,4S)-4-(2-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 46783572
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
2-cyclohex-3-en-1-ylbenzonitrile
CID 66632923
2-(trifluoromethylsulfanyl)benzonitrile
CID 2777863
2-(4-ethylcyclohexyl)benzonitrile
CID 56626260

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile?
The IUPAC name of 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile (CID 169432307) is 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile.
What is the SMILES notation for 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile?
The canonical SMILES for 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile is N#Cc1ccccc1[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile?
The InChIKey is ZDZXNAKSROJFGJ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H8F3N/c12-11(13,14)10-5-9(10)8-4-2-1-3-7(8)6-15/h1-4,9-10H,5H2/t9-,10+/m0/s1.
What are the key properties of 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile?
2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile has a molecular weight of 211.19 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzonitrile is sourced from PubChem (CID 169432307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).