(3S)-3-fluoro-2,3-dimethylhexane

C8H17F — CID 169026252

IUPAC(3S)-3-fluoro-2,3-dimethylhexane
SMILESCCC[C@](C)(F)C(C)C
InChIInChI=1S/C8H17F/c1-5-6-8(4,9)7(2)3/h7H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyOYEILYOXZSAEGZ-QMMMGPOBSA-N
MW132.22 g/mol
LogP3.17
Rot. Bonds3

About (3S)-3-fluoro-2,3-dimethylhexane

(3S)-3-fluoro-2,3-dimethylhexane (PubChem CID 169026252) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is (3S)-3-fluoro-2,3-dimethylhexane.

Molecular Properties

Compound Name(3S)-3-fluoro-2,3-dimethylhexane
PubChem CID169026252
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name(3S)-3-fluoro-2,3-dimethylhexane
SMILESCCC[C@](C)(F)C(C)C
InChIInChI=1S/C8H17F/c1-5-6-8(4,9)7(2)3/h7H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyOYEILYOXZSAEGZ-QMMMGPOBSA-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

3,6-difluoro-2,3,6-trimethyloctane
CID 167073987
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
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6-fluoro-2,6,7-trimethyloctan-3-ol
CID 90442290
3-fluoro-2,3,5,5-tetramethylheptane
CID 89233452
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
1,1,1-trifluoro-2-methyl-2-(trifluoromethyl)pentane
CID 19105659
2-fluoro-2-propan-2-ylsulfonylpentane
CID 161159167
(3S)-2,2-dimethyl-3-propan-2-ylhexan-3-ol
CID 59910933
3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
CID 57491483
2,4-dimethylheptane-2,3,4-triol
CID 141035400
(4S)-2,4-dimethyl-4-propan-2-ylheptane
CID 58432708
(6S)-3-ethyl-6-fluoro-4,6-dimethylnonane
CID 170941312

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-2,3-dimethylhexane?
The IUPAC name of (3S)-3-fluoro-2,3-dimethylhexane (CID 169026252) is (3S)-3-fluoro-2,3-dimethylhexane.
What is the SMILES notation for (3S)-3-fluoro-2,3-dimethylhexane?
The canonical SMILES for (3S)-3-fluoro-2,3-dimethylhexane is CCC[C@](C)(F)C(C)C.
What is the InChIKey of (3S)-3-fluoro-2,3-dimethylhexane?
The InChIKey is OYEILYOXZSAEGZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17F/c1-5-6-8(4,9)7(2)3/h7H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of (3S)-3-fluoro-2,3-dimethylhexane?
(3S)-3-fluoro-2,3-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 (3S)-3-fluoro-2,3-dimethylhexane is sourced from PubChem (CID 169026252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).