2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene

C11H11F3 — CID 176961443

IUPAC2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
SMILESC/C=C/c1cccc(C(F)(F)F)c1C
InChIInChI=1S/C11H11F3/c1-3-5-9-6-4-7-10(8(9)2)11(12,13)14/h3-7H,1-2H3/b5-3+
InChIKeyQQQKFIRTARAEBV-HWKANZROSA-N
MW200.20 g/mol
LogP4.05
Rot. Bonds1

About 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene

2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene (PubChem CID 176961443) has the molecular formula C11H11F3 and a molecular weight of 200.20 g/mol. Its IUPAC name is 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
PubChem CID176961443
Molecular FormulaC11H11F3
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene
SMILESC/C=C/c1cccc(C(F)(F)F)c1C
InChIInChI=1S/C11H11F3/c1-3-5-9-6-4-7-10(8(9)2)11(12,13)14/h3-7H,1-2H3/b5-3+
InChIKeyQQQKFIRTARAEBV-HWKANZROSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene (CID 176961443) is 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene is C/C=C/c1cccc(C(F)(F)F)c1C.
What is the InChIKey of 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene?
The InChIKey is QQQKFIRTARAEBV-HWKANZROSA-N. The full InChI is InChI=1S/C11H11F3/c1-3-5-9-6-4-7-10(8(9)2)11(12,13)14/h3-7H,1-2H3/b5-3+.
What are the key properties of 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene?
2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene has a molecular weight of 200.20 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-prop-1-enyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 176961443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).