4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile

Name: 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₄H₁₄F₃NO — CID 167340188

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile

SMILESCC(C)[C@H]1C[C@@H]1c1ccc(C#N)c(OC(F)(F)F)c1

InChIInChI=1S/C14H14F3NO/c1-8(2)11-6-12(11)9-3-4-10(7-18)13(5-9)19-14(15,16)17/h3-5,8,11-12H,6H2,1-2H3/t11-,12-/m1/s1

InChIKeyLATRKDPRGTVIJW-VXGBXAGGSA-N

MW269.27 g/mol

LogP4.22

Rot. Bonds3

About 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile

4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile (PubChem CID 167340188) has the molecular formula C₁₄H₁₄F₃NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name	4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile
PubChem CID	167340188
Molecular Formula	C₁₄H₁₄F₃NO
Molecular Weight	269.27 g/mol
Exact Mass	269.10
IUPAC Name	4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile
SMILES	CC(C)[C@H]1C[C@@H]1c1ccc(C#N)c(OC(F)(F)F)c1
InChI	InChI=1S/C14H14F3NO/c1-8(2)11-6-12(11)9-3-4-10(7-18)13(5-9)19-14(15,16)17/h3-5,8,11-12H,6H2,1-2H3/t11-,12-/m1/s1
InChIKey	LATRKDPRGTVIJW-VXGBXAGGSA-N
XLogP	4.22
TPSA	33.02 Å²
H-Bond Donors
H-Bond Acceptors	2
Rotatable Bonds	3
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.27
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile?

The IUPAC name of 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile (CID 167340188) is 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile.

What is the SMILES notation for 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile?

The canonical SMILES for 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile is CC(C)[C@H]1C[C@@H]1c1ccc(C#N)c(OC(F)(F)F)c1.

What is the InChIKey of 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile?

The InChIKey is LATRKDPRGTVIJW-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-8(2)11-6-12(11)9-3-4-10(7-18)13(5-9)19-14(15,16)17/h3-5,8,11-12H,6H2,1-2H3/t11-,12-/m1/s1.

What are the key properties of 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile?

4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile has a molecular weight of 269.27 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S,2R)-2-propan-2-ylcyclopropyl]-2-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 167340188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 167340188 — identifiers, structure, computed properties (public domain)

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