1-fluoro-3,3-dimethylhexane

C8H17F — CID 21413626

IUPAC1-fluoro-3,3-dimethylhexane
SMILESCCCC(C)(C)CCF
InChIInChI=1S/C8H17F/c1-4-5-8(2,3)6-7-9/h4-7H2,1-3H3
InChIKeyRZNMUBDFASPSAE-UHFFFAOYSA-N
MW132.22 g/mol
LogP3.17
Rot. Bonds4

About 1-fluoro-3,3-dimethylhexane

1-fluoro-3,3-dimethylhexane (PubChem CID 21413626) has the molecular formula C8H17F and a molecular weight of 132.22 g/mol. Its IUPAC name is 1-fluoro-3,3-dimethylhexane.

Molecular Properties

Compound Name1-fluoro-3,3-dimethylhexane
PubChem CID21413626
Molecular FormulaC8H17F
Molecular Weight132.22 g/mol
Exact Mass132.13
IUPAC Name1-fluoro-3,3-dimethylhexane
SMILESCCCC(C)(C)CCF
InChIInChI=1S/C8H17F/c1-4-5-8(2,3)6-7-9/h4-7H2,1-3H3
InChIKeyRZNMUBDFASPSAE-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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 1-fluoro-3,3-dimethylhexane?
The IUPAC name of 1-fluoro-3,3-dimethylhexane (CID 21413626) is 1-fluoro-3,3-dimethylhexane.
What is the SMILES notation for 1-fluoro-3,3-dimethylhexane?
The canonical SMILES for 1-fluoro-3,3-dimethylhexane is CCCC(C)(C)CCF.
What is the InChIKey of 1-fluoro-3,3-dimethylhexane?
The InChIKey is RZNMUBDFASPSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F/c1-4-5-8(2,3)6-7-9/h4-7H2,1-3H3.
What are the key properties of 1-fluoro-3,3-dimethylhexane?
1-fluoro-3,3-dimethylhexane has a molecular weight of 132.22 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,3-dimethylhexane is sourced from PubChem (CID 21413626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).