6,6-difluoro-6-phenylhexan-3-ol

C12H16F2O — CID 116790314

IUPAC6,6-difluoro-6-phenylhexan-3-ol
SMILESCCC(O)CCC(F)(F)c1ccccc1
InChIInChI=1S/C12H16F2O/c1-2-11(15)8-9-12(13,14)10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3
InChIKeyDKBDVKIKIXJBEF-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.33
Rot. Bonds5

About 6,6-difluoro-6-phenylhexan-3-ol

6,6-difluoro-6-phenylhexan-3-ol (PubChem CID 116790314) has the molecular formula C12H16F2O and a molecular weight of 214.26 g/mol. Its IUPAC name is 6,6-difluoro-6-phenylhexan-3-ol.

Molecular Properties

Compound Name6,6-difluoro-6-phenylhexan-3-ol
PubChem CID116790314
Molecular FormulaC12H16F2O
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name6,6-difluoro-6-phenylhexan-3-ol
SMILESCCC(O)CCC(F)(F)c1ccccc1
InChIInChI=1S/C12H16F2O/c1-2-11(15)8-9-12(13,14)10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3
InChIKeyDKBDVKIKIXJBEF-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6,6-diphenylhexan-3-ol
CID 57258566
(3S)-1-trityloxypentan-3-ol
CID 11163798
6,6-difluoro-6-phenylhexan-3-one
CID 116789877
1,1-difluoroheptylbenzene
CID 12070547
3,3-difluoro-3-phenyl-N-propylpropan-1-amine
CID 116790434
5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
CID 116790326
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
N-(2,2-difluoro-2-phenylethyl)-2-ethylbutan-1-amine
CID 116789342
tetradecane-3,6,9,12-tetrol
CID 57081340
undecane-3,6,9-triol
CID 57025994
ethyl 5,5-difluoro-5-phenylpentanoate
CID 132538459

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-6-phenylhexan-3-ol?
The IUPAC name of 6,6-difluoro-6-phenylhexan-3-ol (CID 116790314) is 6,6-difluoro-6-phenylhexan-3-ol.
What is the SMILES notation for 6,6-difluoro-6-phenylhexan-3-ol?
The canonical SMILES for 6,6-difluoro-6-phenylhexan-3-ol is CCC(O)CCC(F)(F)c1ccccc1.
What is the InChIKey of 6,6-difluoro-6-phenylhexan-3-ol?
The InChIKey is DKBDVKIKIXJBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-2-11(15)8-9-12(13,14)10-6-4-3-5-7-10/h3-7,11,15H,2,8-9H2,1H3.
What are the key properties of 6,6-difluoro-6-phenylhexan-3-ol?
6,6-difluoro-6-phenylhexan-3-ol has a molecular weight of 214.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-6-phenylhexan-3-ol is sourced from PubChem (CID 116790314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).