4-fluoro-3,3-bis(fluoromethyl)butan-1-ol

C6H11F3O — CID 87076879

IUPAC4-fluoro-3,3-bis(fluoromethyl)butan-1-ol
SMILESOCCC(CF)(CF)CF
InChIInChI=1S/C6H11F3O/c7-3-6(4-8,5-9)1-2-10/h10H,1-5H2
InChIKeyAKIJGKPBUMYIMU-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.26
Rot. Bonds5

About 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol

4-fluoro-3,3-bis(fluoromethyl)butan-1-ol (PubChem CID 87076879) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol.

Molecular Properties

Compound Name4-fluoro-3,3-bis(fluoromethyl)butan-1-ol
PubChem CID87076879
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name4-fluoro-3,3-bis(fluoromethyl)butan-1-ol
SMILESOCCC(CF)(CF)CF
InChIInChI=1S/C6H11F3O/c7-3-6(4-8,5-9)1-2-10/h10H,1-5H2
InChIKeyAKIJGKPBUMYIMU-UHFFFAOYSA-N
XLogP1.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol?
The IUPAC name of 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol (CID 87076879) is 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol.
What is the SMILES notation for 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol?
The canonical SMILES for 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol is OCCC(CF)(CF)CF.
What is the InChIKey of 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol?
The InChIKey is AKIJGKPBUMYIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3O/c7-3-6(4-8,5-9)1-2-10/h10H,1-5H2.
What are the key properties of 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol?
4-fluoro-3,3-bis(fluoromethyl)butan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,3-bis(fluoromethyl)butan-1-ol is sourced from PubChem (CID 87076879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).