(4S)-4-fluoro-2,2-dimethylhexane

C8H17F — CID 134192582

IUPAC(4S)-4-fluoro-2,2-dimethylhexane
SMILESCC[C@H](F)CC(C)(C)C
InChIInChI=1S/C8H17F/c1-5-7(9)6-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyVCPSWBIVFOMAFM-ZETCQYMHSA-N
MW132.22 g/mol
LogP3.17
Rot. Bonds2

About (4S)-4-fluoro-2,2-dimethylhexane

(4S)-4-fluoro-2,2-dimethylhexane (PubChem CID 134192582) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is (4S)-4-fluoro-2,2-dimethylhexane.

Molecular Properties

Compound Name(4S)-4-fluoro-2,2-dimethylhexane
PubChem CID134192582
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name(4S)-4-fluoro-2,2-dimethylhexane
SMILESCC[C@H](F)CC(C)(C)C
InChIInChI=1S/C8H17F/c1-5-7(9)6-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1
InChIKeyVCPSWBIVFOMAFM-ZETCQYMHSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-2,2-dimethylhexane?
The IUPAC name of (4S)-4-fluoro-2,2-dimethylhexane (CID 134192582) is (4S)-4-fluoro-2,2-dimethylhexane.
What is the SMILES notation for (4S)-4-fluoro-2,2-dimethylhexane?
The canonical SMILES for (4S)-4-fluoro-2,2-dimethylhexane is CC[C@H](F)CC(C)(C)C.
What is the InChIKey of (4S)-4-fluoro-2,2-dimethylhexane?
The InChIKey is VCPSWBIVFOMAFM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17F/c1-5-7(9)6-8(2,3)4/h7H,5-6H2,1-4H3/t7-/m0/s1.
What are the key properties of (4S)-4-fluoro-2,2-dimethylhexane?
(4S)-4-fluoro-2,2-dimethylhexane has a molecular weight of 132.22 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-2,2-dimethylhexane is sourced from PubChem (CID 134192582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).