1,1,1,2,3,3,3-heptafluoro-2-methylpropane

C4H3F7 — CID 12025746

IUPAC1,1,1,2,3,3,3-heptafluoro-2-methylpropane
SMILESCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7/c1-2(5,3(6,7)8)4(9,10)11/h1H3
InChIKeyFHPWBTSWLBVQKB-UHFFFAOYSA-N
MW184.05 g/mol
LogP2.84
Rot. Bonds

About 1,1,1,2,3,3,3-heptafluoro-2-methylpropane

1,1,1,2,3,3,3-heptafluoro-2-methylpropane (PubChem CID 12025746) has the molecular formula C4H3F7 and a molecular weight of 184.05 g/mol. Its IUPAC name is 1,1,1,2,3,3,3-heptafluoro-2-methylpropane.

Molecular Properties

Compound Name1,1,1,2,3,3,3-heptafluoro-2-methylpropane
PubChem CID12025746
Molecular FormulaC4H3F7
Molecular Weight184.05 g/mol
Exact Mass184.01
IUPAC Name1,1,1,2,3,3,3-heptafluoro-2-methylpropane
SMILESCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H3F7/c1-2(5,3(6,7)8)4(9,10)11/h1H3
InChIKeyFHPWBTSWLBVQKB-UHFFFAOYSA-N
XLogP2.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
The IUPAC name of 1,1,1,2,3,3,3-heptafluoro-2-methylpropane (CID 12025746) is 1,1,1,2,3,3,3-heptafluoro-2-methylpropane.
What is the SMILES notation for 1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
The canonical SMILES for 1,1,1,2,3,3,3-heptafluoro-2-methylpropane is CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
The InChIKey is FHPWBTSWLBVQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F7/c1-2(5,3(6,7)8)4(9,10)11/h1H3.
What are the key properties of 1,1,1,2,3,3,3-heptafluoro-2-methylpropane?
1,1,1,2,3,3,3-heptafluoro-2-methylpropane has a molecular weight of 184.05 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,3-heptafluoro-2-methylpropane is sourced from PubChem (CID 12025746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).