1-fluoro-2,2-dimethylpropane

C5H11F — CID 10154002

IUPAC1-fluoro-2,2-dimethylpropane
SMILESCC(C)(C)CF
InChIInChI=1S/C5H11F/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyCZJHAXLHYWLWBS-UHFFFAOYSA-N
MW90.14 g/mol
LogP2.00
Rot. Bonds

About 1-fluoro-2,2-dimethylpropane

1-fluoro-2,2-dimethylpropane (PubChem CID 10154002) has the molecular formula C5H11F and a molecular weight of 90.14 g/mol. Its IUPAC name is 1-fluoro-2,2-dimethylpropane.

Molecular Properties

Compound Name1-fluoro-2,2-dimethylpropane
PubChem CID10154002
Molecular FormulaC5H11F
Molecular Weight90.14 g/mol
Exact Mass90.08
IUPAC Name1-fluoro-2,2-dimethylpropane
SMILESCC(C)(C)CF
InChIInChI=1S/C5H11F/c1-5(2,3)4-6/h4H2,1-3H3
InChIKeyCZJHAXLHYWLWBS-UHFFFAOYSA-N
XLogP2.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.14
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2-dimethylpropane?
The IUPAC name of 1-fluoro-2,2-dimethylpropane (CID 10154002) is 1-fluoro-2,2-dimethylpropane.
What is the SMILES notation for 1-fluoro-2,2-dimethylpropane?
The canonical SMILES for 1-fluoro-2,2-dimethylpropane is CC(C)(C)CF.
What is the InChIKey of 1-fluoro-2,2-dimethylpropane?
The InChIKey is CZJHAXLHYWLWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F/c1-5(2,3)4-6/h4H2,1-3H3.
What are the key properties of 1-fluoro-2,2-dimethylpropane?
1-fluoro-2,2-dimethylpropane has a molecular weight of 90.14 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2-dimethylpropane is sourced from PubChem (CID 10154002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).