1,6-difluoro-3-methylhexane

C7H14F2 — CID 146258834

IUPAC1,6-difluoro-3-methylhexane
SMILESCC(CCF)CCCF
InChIInChI=1S/C7H14F2/c1-7(4-6-9)3-2-5-8/h7H,2-6H2,1H3
InChIKeySIUWNFBOENXVBT-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.73
Rot. Bonds5

About 1,6-difluoro-3-methylhexane

1,6-difluoro-3-methylhexane (PubChem CID 146258834) has the molecular formula C7H14F2 and a molecular weight of 136.19 g/mol. Its IUPAC name is 1,6-difluoro-3-methylhexane.

Molecular Properties

Compound Name1,6-difluoro-3-methylhexane
PubChem CID146258834
Molecular FormulaC7H14F2
Molecular Weight136.19 g/mol
Exact Mass136.11
IUPAC Name1,6-difluoro-3-methylhexane
SMILESCC(CCF)CCCF
InChIInChI=1S/C7H14F2/c1-7(4-6-9)3-2-5-8/h7H,2-6H2,1H3
InChIKeySIUWNFBOENXVBT-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-7-methylpentacosane
CID 88638363
1-fluoro-5-(fluoromethoxy)-3-methylpentane
CID 59086817
25-fluoro-13-methylpentacosanoic acid
CID 89234036
18-fluoro-10-methyloctadecanoic acid
CID 10013
4,5-diethyl-1-fluoroheptane
CID 123254760
1,8-difluorononane
CID 168864691
1,6-difluoroheptane
CID 139983024
1,2,5-trifluoropentane
CID 87247739
1,1-dibromo-4-fluorobutane
CID 54091383
1,7-dichloro-4-methylheptane
CID 175347315
1,1-dichloro-4-fluorobutane
CID 22321169
(2R)-8-fluorooctan-2-ol
CID 54347912

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-3-methylhexane?
The IUPAC name of 1,6-difluoro-3-methylhexane (CID 146258834) is 1,6-difluoro-3-methylhexane.
What is the SMILES notation for 1,6-difluoro-3-methylhexane?
The canonical SMILES for 1,6-difluoro-3-methylhexane is CC(CCF)CCCF.
What is the InChIKey of 1,6-difluoro-3-methylhexane?
The InChIKey is SIUWNFBOENXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2/c1-7(4-6-9)3-2-5-8/h7H,2-6H2,1H3.
What are the key properties of 1,6-difluoro-3-methylhexane?
1,6-difluoro-3-methylhexane has a molecular weight of 136.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-3-methylhexane is sourced from PubChem (CID 146258834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).