4,4-bis(4-fluorophenyl)butan-1-ol

C16H16F2O — CID 3016515

IUPAC4,4-bis(4-fluorophenyl)butan-1-ol
SMILESOCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F2O/c17-14-7-3-12(4-8-14)16(2-1-11-19)13-5-9-15(18)10-6-13/h3-10,16,19H,1-2,11H2
InChIKeyBMPMPXFWCYAFJO-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.87
Rot. Bonds5

About 4,4-bis(4-fluorophenyl)butan-1-ol

4,4-bis(4-fluorophenyl)butan-1-ol (PubChem CID 3016515) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)butan-1-ol.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)butan-1-ol
PubChem CID3016515
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name4,4-bis(4-fluorophenyl)butan-1-ol
SMILESOCCCC(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H16F2O/c17-14-7-3-12(4-8-14)16(2-1-11-19)13-5-9-15(18)10-6-13/h3-10,16,19H,1-2,11H2
InChIKeyBMPMPXFWCYAFJO-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)butan-1-ol?
The IUPAC name of 4,4-bis(4-fluorophenyl)butan-1-ol (CID 3016515) is 4,4-bis(4-fluorophenyl)butan-1-ol.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)butan-1-ol?
The canonical SMILES for 4,4-bis(4-fluorophenyl)butan-1-ol is OCCCC(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)butan-1-ol?
The InChIKey is BMPMPXFWCYAFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c17-14-7-3-12(4-8-14)16(2-1-11-19)13-5-9-15(18)10-6-13/h3-10,16,19H,1-2,11H2.
What are the key properties of 4,4-bis(4-fluorophenyl)butan-1-ol?
4,4-bis(4-fluorophenyl)butan-1-ol has a molecular weight of 262.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)butan-1-ol is sourced from PubChem (CID 3016515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).