1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene

C12H14F4 — CID 165005449

IUPAC1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene
SMILESCc1cc(C(C)(F)C(F)(F)F)cc(C)c1C
InChIInChI=1S/C12H14F4/c1-7-5-10(6-8(2)9(7)3)11(4,13)12(14,15)16/h5-6H,1-4H3
InChIKeySHZJURLTJQLPBL-UHFFFAOYSA-N
MW234.24 g/mol
LogP4.36
Rot. Bonds1

About 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene

1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene (PubChem CID 165005449) has the molecular formula C12H14F4 and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene
PubChem CID165005449
Molecular FormulaC12H14F4
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene
SMILESCc1cc(C(C)(F)C(F)(F)F)cc(C)c1C
InChIInChI=1S/C12H14F4/c1-7-5-10(6-8(2)9(7)3)11(4,13)12(14,15)16/h5-6H,1-4H3
InChIKeySHZJURLTJQLPBL-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene?
The IUPAC name of 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene (CID 165005449) is 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene.
What is the SMILES notation for 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene?
The canonical SMILES for 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene is Cc1cc(C(C)(F)C(F)(F)F)cc(C)c1C.
What is the InChIKey of 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene?
The InChIKey is SHZJURLTJQLPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4/c1-7-5-10(6-8(2)9(7)3)11(4,13)12(14,15)16/h5-6H,1-4H3.
What are the key properties of 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene?
1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene has a molecular weight of 234.24 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethyl-5-(1,1,1,2-tetrafluoropropan-2-yl)benzene is sourced from PubChem (CID 165005449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).