1-fluoro-3,3-dimethylbutane

C6H13F — CID 23234144

IUPAC1-fluoro-3,3-dimethylbutane
SMILESCC(C)(C)CCF
InChIInChI=1S/C6H13F/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKeyNQEBYUWPMHVITD-UHFFFAOYSA-N
MW104.17 g/mol
LogP2.39
Rot. Bonds1

About 1-fluoro-3,3-dimethylbutane

1-fluoro-3,3-dimethylbutane (PubChem CID 23234144) has the molecular formula C6H13F and a molecular weight of 104.17 g/mol. Its IUPAC name is 1-fluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name1-fluoro-3,3-dimethylbutane
PubChem CID23234144
Molecular FormulaC6H13F
Molecular Weight104.17 g/mol
Exact Mass104.10
IUPAC Name1-fluoro-3,3-dimethylbutane
SMILESCC(C)(C)CCF
InChIInChI=1S/C6H13F/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChIKeyNQEBYUWPMHVITD-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.17
LogP ≤ 52.39
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-dimethylbutane?
The IUPAC name of 1-fluoro-3,3-dimethylbutane (CID 23234144) is 1-fluoro-3,3-dimethylbutane.
What is the SMILES notation for 1-fluoro-3,3-dimethylbutane?
The canonical SMILES for 1-fluoro-3,3-dimethylbutane is CC(C)(C)CCF.
What is the InChIKey of 1-fluoro-3,3-dimethylbutane?
The InChIKey is NQEBYUWPMHVITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F/c1-6(2,3)4-5-7/h4-5H2,1-3H3.
What are the key properties of 1-fluoro-3,3-dimethylbutane?
1-fluoro-3,3-dimethylbutane has a molecular weight of 104.17 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,3-dimethylbutane is sourced from PubChem (CID 23234144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).