3,3-difluoro-2-methylpentane

C6H12F2 — CID 20748883

IUPAC3,3-difluoro-2-methylpentane
SMILESCCC(F)(F)C(C)C
InChIInChI=1S/C6H12F2/c1-4-6(7,8)5(2)3/h5H,4H2,1-3H3
InChIKeyPNVZMEYAAQSSCI-UHFFFAOYSA-N
MW122.16 g/mol
LogP2.69
Rot. Bonds2

About 3,3-difluoro-2-methylpentane

3,3-difluoro-2-methylpentane (PubChem CID 20748883) has the molecular formula C6H12F2 and a molecular weight of 122.16 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpentane.

Molecular Properties

Compound Name3,3-difluoro-2-methylpentane
PubChem CID20748883
Molecular FormulaC6H12F2
Molecular Weight122.16 g/mol
Exact Mass122.09
IUPAC Name3,3-difluoro-2-methylpentane
SMILESCCC(F)(F)C(C)C
InChIInChI=1S/C6H12F2/c1-4-6(7,8)5(2)3/h5H,4H2,1-3H3
InChIKeyPNVZMEYAAQSSCI-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylpentane?
The IUPAC name of 3,3-difluoro-2-methylpentane (CID 20748883) is 3,3-difluoro-2-methylpentane.
What is the SMILES notation for 3,3-difluoro-2-methylpentane?
The canonical SMILES for 3,3-difluoro-2-methylpentane is CCC(F)(F)C(C)C.
What is the InChIKey of 3,3-difluoro-2-methylpentane?
The InChIKey is PNVZMEYAAQSSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2/c1-4-6(7,8)5(2)3/h5H,4H2,1-3H3.
What are the key properties of 3,3-difluoro-2-methylpentane?
3,3-difluoro-2-methylpentane has a molecular weight of 122.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpentane is sourced from PubChem (CID 20748883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).