1,1-difluoro-4-phenylbutan-2-ol

C10H12F2O — CID 15648576

IUPAC1,1-difluoro-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)C(F)F
InChIInChI=1S/C10H12F2O/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
InChIKeyMXIFGPYCPAUIIP-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.25
Rot. Bonds4

About 1,1-difluoro-4-phenylbutan-2-ol

1,1-difluoro-4-phenylbutan-2-ol (PubChem CID 15648576) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 1,1-difluoro-4-phenylbutan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-4-phenylbutan-2-ol
PubChem CID15648576
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name1,1-difluoro-4-phenylbutan-2-ol
SMILESOC(CCc1ccccc1)C(F)F
InChIInChI=1S/C10H12F2O/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2
InChIKeyMXIFGPYCPAUIIP-UHFFFAOYSA-N
XLogP2.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-phenylbutan-2-ol?
The IUPAC name of 1,1-difluoro-4-phenylbutan-2-ol (CID 15648576) is 1,1-difluoro-4-phenylbutan-2-ol.
What is the SMILES notation for 1,1-difluoro-4-phenylbutan-2-ol?
The canonical SMILES for 1,1-difluoro-4-phenylbutan-2-ol is OC(CCc1ccccc1)C(F)F.
What is the InChIKey of 1,1-difluoro-4-phenylbutan-2-ol?
The InChIKey is MXIFGPYCPAUIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c11-10(12)9(13)7-6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2.
What are the key properties of 1,1-difluoro-4-phenylbutan-2-ol?
1,1-difluoro-4-phenylbutan-2-ol has a molecular weight of 186.20 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-phenylbutan-2-ol is sourced from PubChem (CID 15648576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).