1-tert-butyl-4-(difluoromethyl)benzene

C11H14F2 — CID 640453

IUPAC1-tert-butyl-4-(difluoromethyl)benzene
SMILESCC(C)(C)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H14F2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7,10H,1-3H3
InChIKeyANQMTLKEAKYWEZ-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.92
Rot. Bonds1

About 1-tert-butyl-4-(difluoromethyl)benzene

1-tert-butyl-4-(difluoromethyl)benzene (PubChem CID 640453) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-tert-butyl-4-(difluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(difluoromethyl)benzene
PubChem CID640453
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-tert-butyl-4-(difluoromethyl)benzene
SMILESCC(C)(C)c1ccc(C(F)F)cc1
InChIInChI=1S/C11H14F2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7,10H,1-3H3
InChIKeyANQMTLKEAKYWEZ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(difluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-4-(difluoromethyl)benzene (CID 640453) is 1-tert-butyl-4-(difluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(difluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(difluoromethyl)benzene is CC(C)(C)c1ccc(C(F)F)cc1.
What is the InChIKey of 1-tert-butyl-4-(difluoromethyl)benzene?
The InChIKey is ANQMTLKEAKYWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7,10H,1-3H3.
What are the key properties of 1-tert-butyl-4-(difluoromethyl)benzene?
1-tert-butyl-4-(difluoromethyl)benzene has a molecular weight of 184.23 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(difluoromethyl)benzene is sourced from PubChem (CID 640453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).