1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene

C10H11F3 — CID 86327346

IUPAC1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
SMILESCc1ccc([C@@H](C)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h3-6,8H,1-2H3/t8-/m1/s1
InChIKeyCSHZLCPMFZLFQT-MRVPVSSYSA-N
MW188.19 g/mol
LogP3.66
Rot. Bonds1

About 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene

1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene (PubChem CID 86327346) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene.

Molecular Properties

Compound Name1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
PubChem CID86327346
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene
SMILESCc1ccc([C@@H](C)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h3-6,8H,1-2H3/t8-/m1/s1
InChIKeyCSHZLCPMFZLFQT-MRVPVSSYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
P-Xylene
CID 7809
P-Cymene
CID 7463
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene?
The IUPAC name of 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene (CID 86327346) is 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene.
What is the SMILES notation for 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene?
The canonical SMILES for 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene is Cc1ccc([C@@H](C)C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene?
The InChIKey is CSHZLCPMFZLFQT-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11F3/c1-7-3-5-9(6-4-7)8(2)10(11,12)13/h3-6,8H,1-2H3/t8-/m1/s1.
What are the key properties of 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene?
1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene has a molecular weight of 188.19 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(2R)-1,1,1-trifluoropropan-2-yl]benzene is sourced from PubChem (CID 86327346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).