1,1-difluoro-3,3-dimethylpentane

C7H14F2 — CID 170027103

IUPAC1,1-difluoro-3,3-dimethylpentane
SMILESCCC(C)(C)CC(F)F
InChIInChI=1S/C7H14F2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3
InChIKeyXYOXTMOIDRENSJ-UHFFFAOYSA-N
MW136.19 g/mol
LogP3.08
Rot. Bonds3

About 1,1-difluoro-3,3-dimethylpentane

1,1-difluoro-3,3-dimethylpentane (PubChem CID 170027103) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,1-difluoro-3,3-dimethylpentane.

Molecular Properties

Compound Name1,1-difluoro-3,3-dimethylpentane
PubChem CID170027103
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,1-difluoro-3,3-dimethylpentane
SMILESCCC(C)(C)CC(F)F
InChIInChI=1S/C7H14F2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3
InChIKeyXYOXTMOIDRENSJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-4,4-dimethylhexane
CID 170227321
1,1-dibromo-3,3-dimethylpentane
CID 19884394
3-(bromomethyl)-1,1-difluoro-3-methylpentane
CID 165443659
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
trimethyl(2,2,5,5-tetramethylheptan-3-yl)silane
CID 91235940
5-butyl-3,3-dimethylnonane
CID 123518865
3,3,5,7-tetramethylnonane
CID 57490983
5,5,7,7-tetramethylnonan-3-ol
CID 91489156
5,5-dimethyl-3-propan-2-ylheptan-2-ol
CID 156689554

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3,3-dimethylpentane?
The IUPAC name of 1,1-difluoro-3,3-dimethylpentane (CID 170027103) is 1,1-difluoro-3,3-dimethylpentane.
What is the SMILES notation for 1,1-difluoro-3,3-dimethylpentane?
The canonical SMILES for 1,1-difluoro-3,3-dimethylpentane is CCC(C)(C)CC(F)F.
What is the InChIKey of 1,1-difluoro-3,3-dimethylpentane?
The InChIKey is XYOXTMOIDRENSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-4-7(2,3)5-6(8)9/h6H,4-5H2,1-3H3.
What are the key properties of 1,1-difluoro-3,3-dimethylpentane?
1,1-difluoro-3,3-dimethylpentane has a molecular weight of 136.19 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3,3-dimethylpentane is sourced from PubChem (CID 170027103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).