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

C10H11F3 — CID 599680

IUPAC1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3-7H,1-2H3
InChIKeyRPQZZDWFWOIRAN-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.83
Rot. Bonds1

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

1-propan-2-yl-4-(trifluoromethyl)benzene (PubChem CID 599680) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-propan-2-yl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-(trifluoromethyl)benzene
PubChem CID599680
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-propan-2-yl-4-(trifluoromethyl)benzene
SMILESCC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3-7H,1-2H3
InChIKeyRPQZZDWFWOIRAN-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-propan-2-yl-4-(trifluoromethyl)benzene (CID 599680) is 1-propan-2-yl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-propan-2-yl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-propan-2-yl-4-(trifluoromethyl)benzene is CC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yl-4-(trifluoromethyl)benzene?
The InChIKey is RPQZZDWFWOIRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-7(2)8-3-5-9(6-4-8)10(11,12)13/h3-7H,1-2H3.
What are the key properties of 1-propan-2-yl-4-(trifluoromethyl)benzene?
1-propan-2-yl-4-(trifluoromethyl)benzene has a molecular weight of 188.19 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 599680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).