1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene

C14H12F10 — CID 139378807

IUPAC1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(C(F)(F)F)cc(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C14H12F10/c1-10(2,3)7-4-8(6-9(5-7)12(16,17)18)11(15,13(19,20)21)14(22,23)24/h4-6H,1-3H3
InChIKeyMXGBKMOTGIIWLJ-UHFFFAOYSA-N
MW370.23 g/mol
LogP6.29
Rot. Bonds1

About 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene

1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene (PubChem CID 139378807) has the molecular formula C14H12F10 and a molecular weight of 370.23 g/mol. Its IUPAC name is 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
PubChem CID139378807
Molecular FormulaC14H12F10
Molecular Weight370.23 g/mol
Exact Mass370.08
IUPAC Name1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene
SMILESCC(C)(C)c1cc(C(F)(F)F)cc(C(F)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C14H12F10/c1-10(2,3)7-4-8(6-9(5-7)12(16,17)18)11(15,13(19,20)21)14(22,23)24/h4-6H,1-3H3
InChIKeyMXGBKMOTGIIWLJ-UHFFFAOYSA-N
XLogP6.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.23
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene?
The IUPAC name of 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene (CID 139378807) is 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene is CC(C)(C)c1cc(C(F)(F)F)cc(C(F)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene?
The InChIKey is MXGBKMOTGIIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F10/c1-10(2,3)7-4-8(6-9(5-7)12(16,17)18)11(15,13(19,20)21)14(22,23)24/h4-6H,1-3H3.
What are the key properties of 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene?
1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene has a molecular weight of 370.23 g/mol, XLogP of 6.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 139378807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).