3-fluoro-3,4-dimethylhexane

C8H17F — CID 153400772

IUPAC3-fluoro-3,4-dimethylhexane
SMILESCCC(C)C(C)(F)CC
InChIInChI=1S/C8H17F/c1-5-7(3)8(4,9)6-2/h7H,5-6H2,1-4H3
InChIKeyHBOBLUXFXRXFDN-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.17
Rot. Bonds3

About 3-fluoro-3,4-dimethylhexane

3-fluoro-3,4-dimethylhexane (PubChem CID 153400772) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 3-fluoro-3,4-dimethylhexane.

Molecular Properties

Compound Name3-fluoro-3,4-dimethylhexane
PubChem CID153400772
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name3-fluoro-3,4-dimethylhexane
SMILESCCC(C)C(C)(F)CC
InChIInChI=1S/C8H17F/c1-5-7(3)8(4,9)6-2/h7H,5-6H2,1-4H3
InChIKeyHBOBLUXFXRXFDN-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.22
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-2,2-difluoro-3-methylpentane
CID 129370790
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
4-fluoro-4-methylhexan-3-amine
CID 167068220
2-(3,3-difluorobutan-2-yloxy)-3-methylpentane
CID 175610511
(3S)-3-ethyl-2,2-difluoro-4-methylpentane
CID 178144568
2,2-difluorobutane;ethane;3-methylpentane
CID 145386582
2,3-dimethylpentan-2-yl hypofluorite
CID 140594719
3,4-diethyl-4,5-dimethylheptane
CID 57491367
3-fluoro-3,5-dimethylheptane
CID 123257807
2,3-dimethylpentane-2-thiol
CID 90985123
3,6-difluoro-2,3,6-trimethyloctane
CID 167073987
1-fluoro-3,3,4-trimethylhexane
CID 123778940

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3,4-dimethylhexane?
The IUPAC name of 3-fluoro-3,4-dimethylhexane (CID 153400772) is 3-fluoro-3,4-dimethylhexane.
What is the SMILES notation for 3-fluoro-3,4-dimethylhexane?
The canonical SMILES for 3-fluoro-3,4-dimethylhexane is CCC(C)C(C)(F)CC.
What is the InChIKey of 3-fluoro-3,4-dimethylhexane?
The InChIKey is HBOBLUXFXRXFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-5-7(3)8(4,9)6-2/h7H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-3,4-dimethylhexane?
3-fluoro-3,4-dimethylhexane has a molecular weight of 132.22 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3,4-dimethylhexane is sourced from PubChem (CID 153400772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).