3,3-difluoro-4-methylheptane

C8H16F2 — CID 146477960

IUPAC3,3-difluoro-4-methylheptane
SMILESCCCC(C)C(F)(F)CC
InChIInChI=1S/C8H16F2/c1-4-6-7(3)8(9,10)5-2/h7H,4-6H2,1-3H3
InChIKeyCLFVNJHOYIMBLL-UHFFFAOYSA-N
MW150.21 g/mol
LogP3.47
Rot. Bonds4

About 3,3-difluoro-4-methylheptane

3,3-difluoro-4-methylheptane (PubChem CID 146477960) has the molecular formula C8H16F2 and a molecular weight of 150.21 g/mol. Its IUPAC name is 3,3-difluoro-4-methylheptane.

Molecular Properties

Compound Name3,3-difluoro-4-methylheptane
PubChem CID146477960
Molecular FormulaC8H16F2
Molecular Weight150.21 g/mol
Exact Mass150.12
IUPAC Name3,3-difluoro-4-methylheptane
SMILESCCCC(C)C(F)(F)CC
InChIInChI=1S/C8H16F2/c1-4-6-7(3)8(9,10)5-2/h7H,4-6H2,1-3H3
InChIKeyCLFVNJHOYIMBLL-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methylheptane?
The IUPAC name of 3,3-difluoro-4-methylheptane (CID 146477960) is 3,3-difluoro-4-methylheptane.
What is the SMILES notation for 3,3-difluoro-4-methylheptane?
The canonical SMILES for 3,3-difluoro-4-methylheptane is CCCC(C)C(F)(F)CC.
What is the InChIKey of 3,3-difluoro-4-methylheptane?
The InChIKey is CLFVNJHOYIMBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2/c1-4-6-7(3)8(9,10)5-2/h7H,4-6H2,1-3H3.
What are the key properties of 3,3-difluoro-4-methylheptane?
3,3-difluoro-4-methylheptane has a molecular weight of 150.21 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methylheptane is sourced from PubChem (CID 146477960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).