1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane

C14H17F5 — CID 155699105

IUPAC1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1cc(C(F)(F)F)cc(C(F)(F)C2CC2)c1
InChIInChI=1S/C12H11F5.C2H6/c1-7-4-9(11(13,14)8-2-3-8)6-10(5-7)12(15,16)17;1-2/h4-6,8H,2-3H2,1H3;1-2H3
InChIKeyARPWFDJYWDYJJN-UHFFFAOYSA-N
MW280.28 g/mol
LogP5.54
Rot. Bonds2

About 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane

1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane (PubChem CID 155699105) has the molecular formula C14H17F5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane.

Molecular Properties

Compound Name1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
PubChem CID155699105
Molecular FormulaC14H17F5
Molecular Weight280.28 g/mol
Exact Mass280.13
IUPAC Name1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane
SMILESCC.Cc1cc(C(F)(F)F)cc(C(F)(F)C2CC2)c1
InChIInChI=1S/C12H11F5.C2H6/c1-7-4-9(11(13,14)8-2-3-8)6-10(5-7)12(15,16)17;1-2/h4-6,8H,2-3H2,1H3;1-2H3
InChIKeyARPWFDJYWDYJJN-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.28
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane?
The IUPAC name of 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane (CID 155699105) is 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane.
What is the SMILES notation for 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane?
The canonical SMILES for 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane is CC.Cc1cc(C(F)(F)F)cc(C(F)(F)C2CC2)c1.
What is the InChIKey of 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane?
The InChIKey is ARPWFDJYWDYJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5.C2H6/c1-7-4-9(11(13,14)8-2-3-8)6-10(5-7)12(15,16)17;1-2/h4-6,8H,2-3H2,1H3;1-2H3.
What are the key properties of 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane?
1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane has a molecular weight of 280.28 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(difluoro)methyl]-3-methyl-5-(trifluoromethyl)benzene;ethane is sourced from PubChem (CID 155699105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).