5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol

C14H20F2O — CID 116790326

IUPAC5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
SMILESCC(C)C(CC(F)(F)c1ccccc1)C(C)O
InChIInChI=1S/C14H20F2O/c1-10(2)13(11(3)17)9-14(15,16)12-7-5-4-6-8-12/h4-8,10-11,13,17H,9H2,1-3H3
InChIKeyGRJUVCLOWGIXSW-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.82
Rot. Bonds5

About 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol

5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol (PubChem CID 116790326) has the molecular formula C14H20F2O and a molecular weight of 242.31 g/mol. Its IUPAC name is 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol.

Molecular Properties

Compound Name5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
PubChem CID116790326
Molecular FormulaC14H20F2O
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol
SMILESCC(C)C(CC(F)(F)c1ccccc1)C(C)O
InChIInChI=1S/C14H20F2O/c1-10(2)13(11(3)17)9-14(15,16)12-7-5-4-6-8-12/h4-8,10-11,13,17H,9H2,1-3H3
InChIKeyGRJUVCLOWGIXSW-UHFFFAOYSA-N
XLogP3.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-1-phenylpropan-2-ol
CID 23235127
(2R)-2-amino-4,4-difluoro-4-phenylbutanoic acid
CID 106702814
methyl 2-amino-4,4-difluoro-4-phenylbutanoate
CID 66940111
6,6-difluoro-6-phenylhexan-3-ol
CID 116790314
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
1-[3-(2,2-difluoro-2-phenylethoxy)phenyl]ethanol
CID 116789730
6-phenyl-3-propan-2-ylhexan-2-ol
CID 62914612
N-butan-2-yl-2,2-difluoro-2-phenylacetamide
CID 164554338
(2R)-2-[(2,2-difluoro-2-phenylacetyl)amino]-3-methylbutanoic acid
CID 119369647
3-[(2,2-difluoro-2-phenylethyl)amino]butan-1-ol
CID 116789257
4-methyl-3-(2-phenylsulfanylethyl)pentan-2-ol
CID 79228749

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol?
The IUPAC name of 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol (CID 116790326) is 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol.
What is the SMILES notation for 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol?
The canonical SMILES for 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol is CC(C)C(CC(F)(F)c1ccccc1)C(C)O.
What is the InChIKey of 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol?
The InChIKey is GRJUVCLOWGIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2O/c1-10(2)13(11(3)17)9-14(15,16)12-7-5-4-6-8-12/h4-8,10-11,13,17H,9H2,1-3H3.
What are the key properties of 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol?
5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol has a molecular weight of 242.31 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-5-phenyl-3-propan-2-ylpentan-2-ol is sourced from PubChem (CID 116790326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).