1-fluoro-4,4-dimethylpentane

C7H15F — CID 20755641

IUPAC1-fluoro-4,4-dimethylpentane
SMILESCC(C)(C)CCCF
InChIInChI=1S/C7H15F/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3
InChIKeyBSJHFQAQNPLHQZ-UHFFFAOYSA-N
MW118.19 g/mol
LogP2.78
Rot. Bonds2

About 1-fluoro-4,4-dimethylpentane

1-fluoro-4,4-dimethylpentane (PubChem CID 20755641) has the molecular formula C7H15F and a molecular weight of 118.19 g/mol. Its IUPAC name is 1-fluoro-4,4-dimethylpentane.

Molecular Properties

Compound Name1-fluoro-4,4-dimethylpentane
PubChem CID20755641
Molecular FormulaC7H15F
Molecular Weight118.19 g/mol
Exact Mass118.12
IUPAC Name1-fluoro-4,4-dimethylpentane
SMILESCC(C)(C)CCCF
InChIInChI=1S/C7H15F/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3
InChIKeyBSJHFQAQNPLHQZ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.19
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4,4-dimethylpentane?
The IUPAC name of 1-fluoro-4,4-dimethylpentane (CID 20755641) is 1-fluoro-4,4-dimethylpentane.
What is the SMILES notation for 1-fluoro-4,4-dimethylpentane?
The canonical SMILES for 1-fluoro-4,4-dimethylpentane is CC(C)(C)CCCF.
What is the InChIKey of 1-fluoro-4,4-dimethylpentane?
The InChIKey is BSJHFQAQNPLHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F/c1-7(2,3)5-4-6-8/h4-6H2,1-3H3.
What are the key properties of 1-fluoro-4,4-dimethylpentane?
1-fluoro-4,4-dimethylpentane has a molecular weight of 118.19 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4,4-dimethylpentane is sourced from PubChem (CID 20755641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).