trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile

C13H12F3N — CID 134967319

IUPACtrans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
SMILESN#C[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N/c14-13(15,16)11-6-4-9(5-7-11)12-3-1-2-10(12)8-17/h4-7,10,12H,1-3H2/t10-,12+/m1/s1
InChIKeyRKDVJNDESGBBBY-PWSUYJOCSA-N
MW239.24 g/mol
LogP4.11
Rot. Bonds1

About trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile

trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile (PubChem CID 134967319) has the molecular formula C13H12F3N and a molecular weight of 239.24 g/mol. Its IUPAC name is trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Nametrans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
PubChem CID134967319
Molecular FormulaC13H12F3N
Molecular Weight239.24 g/mol
Exact Mass239.09
IUPAC Nametrans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile
SMILESN#C[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H12F3N/c14-13(15,16)11-6-4-9(5-7-11)12-3-1-2-10(12)8-17/h4-7,10,12H,1-3H2/t10-,12+/m1/s1
InChIKeyRKDVJNDESGBBBY-PWSUYJOCSA-N
XLogP4.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
The IUPAC name of trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile (CID 134967319) is trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
The canonical SMILES for trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile is N#C[C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
The InChIKey is RKDVJNDESGBBBY-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H12F3N/c14-13(15,16)11-6-4-9(5-7-11)12-3-1-2-10(12)8-17/h4-7,10,12H,1-3H2/t10-,12+/m1/s1.
What are the key properties of trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile?
trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile has a molecular weight of 239.24 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 134967319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).