1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene

C10H9F5 — CID 22945680

IUPAC1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F5/c1-5(2)6-3-7(10(13,14)15)9(12)8(11)4-6/h3-5H,1-2H3
InChIKeyPHBOOMXTLNQUJP-UHFFFAOYSA-N
MW224.17 g/mol
LogP4.11
Rot. Bonds1

About 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene

1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 22945680) has the molecular formula C10H9F5 and a molecular weight of 224.17 g/mol. Its IUPAC name is 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID22945680
Molecular FormulaC10H9F5
Molecular Weight224.17 g/mol
Exact Mass224.06
IUPAC Name1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(F)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9F5/c1-5(2)6-3-7(10(13,14)15)9(12)8(11)4-6/h3-5H,1-2H3
InChIKeyPHBOOMXTLNQUJP-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene (CID 22945680) is 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1cc(F)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is PHBOOMXTLNQUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5/c1-5(2)6-3-7(10(13,14)15)9(12)8(11)4-6/h3-5H,1-2H3.
What are the key properties of 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene?
1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 224.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-5-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 22945680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).