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

C13H15F3 — CID 140930346

IUPAC4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C2CC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3/c1-8(2)11-6-5-10(9-3-4-9)7-12(11)13(14,15)16/h5-9H,3-4H2,1-2H3
InChIKeyXMWLQJIOGCJBHI-UHFFFAOYSA-N
MW228.26 g/mol
LogP4.71
Rot. Bonds2

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

4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene (PubChem CID 140930346) has the molecular formula C13H15F3 and a molecular weight of 228.26 g/mol. Its IUPAC name is 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene
PubChem CID140930346
Molecular FormulaC13H15F3
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C2CC2)cc1C(F)(F)F
InChIInChI=1S/C13H15F3/c1-8(2)11-6-5-10(9-3-4-9)7-12(11)13(14,15)16/h5-9H,3-4H2,1-2H3
InChIKeyXMWLQJIOGCJBHI-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

[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
CID 146498942
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
2,5-dimethyl-1-[4-propan-2-yl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 70841197
4-cyclopropyl-2-iodo-1-(trifluoromethyl)benzene
CID 130067640
[5-cyclopropyl-2-(trifluoromethyl)phenyl]boronic acid
CID 66521483
4-methoxy-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 20755055
4-(4,4-dimethylcyclohexyl)-1-methyl-2-(trifluoromethyl)benzene
CID 168837355
N-cyclopropyl-4-propan-2-yl-3-(trifluoromethyl)benzamide
CID 70841150
4-cyclopropyl-N-methyl-2-(trifluoromethyl)benzamide
CID 170260526
1-cyclopropyl-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 168958846
4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 90892155
2-fluoro-4-(4-pentan-2-ylcyclohexyl)-1-(trifluoromethyl)benzene
CID 162555914

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The IUPAC name of 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene (CID 140930346) is 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene is CC(C)c1ccc(C2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
The InChIKey is XMWLQJIOGCJBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3/c1-8(2)11-6-5-10(9-3-4-9)7-12(11)13(14,15)16/h5-9H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene?
4-cyclopropyl-1-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 4-cyclopropyl-1-propan-2-yl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 140930346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).