1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene

C13H15F3 — CID 168958846

IUPAC1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3/c1-8(2)10-5-6-11(9-3-4-9)12(7-10)13(14,15)16/h5-9H,3-4H2,1-2H3
InChIKeyQVYSEMUFDNBKEK-UHFFFAOYSA-N
MW228.26 g/mol
LogP4.71
Rot. Bonds2

About 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene

1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 168958846) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID168958846
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C2CC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F3/c1-8(2)10-5-6-11(9-3-4-9)12(7-10)13(14,15)16/h5-9H,3-4H2,1-2H3
InChIKeyQVYSEMUFDNBKEK-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopropyl-4-methyl-2-(trifluoromethyl)benzene
CID 118269320
2-[4-cyclopropyl-3-(trifluoromethyl)phenyl]-4-methylpent-3-en-1-amine
CID 167506599
1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 88933481
N-(cyclohexylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404787
N-(cycloheptylmethyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53404785
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
CID 126723002
4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 140930346
4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
3-[5-propan-2-yl-2-(trifluoromethyl)phenyl]piperidine-2,6-dione
CID 170052287
2-ethyl-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 156849362
N-(2-methylpropyl)-4-propan-2-yl-2-(trifluoromethyl)aniline
CID 53403796

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene (CID 168958846) is 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1ccc(C2CC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is QVYSEMUFDNBKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3/c1-8(2)10-5-6-11(9-3-4-9)12(7-10)13(14,15)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene?
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene has a molecular weight of 228.26 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 168958846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).