3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol

C10H9F5O — CID 143747816

IUPAC3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESOCCC(c1cc(F)cc(F)c1)C(F)(F)F
InChIInChI=1S/C10H9F5O/c11-7-3-6(4-8(12)5-7)9(1-2-16)10(13,14)15/h3-5,9,16H,1-2H2
InChIKeyDATVAHTUNYDRMC-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.99
Rot. Bonds3

About 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol

3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol (PubChem CID 143747816) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
PubChem CID143747816
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol
SMILESOCCC(c1cc(F)cc(F)c1)C(F)(F)F
InChIInChI=1S/C10H9F5O/c11-7-3-6(4-8(12)5-7)9(1-2-16)10(13,14)15/h3-5,9,16H,1-2H2
InChIKeyDATVAHTUNYDRMC-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol (CID 143747816) is 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol is OCCC(c1cc(F)cc(F)c1)C(F)(F)F.
What is the InChIKey of 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is DATVAHTUNYDRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c11-7-3-6(4-8(12)5-7)9(1-2-16)10(13,14)15/h3-5,9,16H,1-2H2.
What are the key properties of 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol?
3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 240.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 143747816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).