2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H12F8O — CID 23528254

IUPAC2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H12F8O/c1-3-6(2)7-4-5-8(10(15)9(7)14)11(22,12(16,17)18)13(19,20)21/h4-6,22H,3H2,1-2H3
InChIKeyNETWRVWJCXURPS-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.79
Rot. Bonds3

About 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 23528254) has the molecular formula C13H12F8O and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID23528254
Molecular FormulaC13H12F8O
Molecular Weight336.22 g/mol
Exact Mass336.08
IUPAC Name2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1F
InChIInChI=1S/C13H12F8O/c1-3-6(2)7-4-5-8(10(15)9(7)14)11(22,12(16,17)18)13(19,20)21/h4-6,22H,3H2,1-2H3
InChIKeyNETWRVWJCXURPS-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

2-[4-butan-2-yl-2,3-bis(trifluoromethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2-[4-butan-2-yl-2,6-bis(trifluoromethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91540539
2-(4-butan-2-yl-2,3,5,6-tetrafluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23528221
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128
1-butan-2-yl-4-(4-ethylphenyl)-2,3-difluorobenzene
CID 123653432
2-(2-butan-2-ylphenyl)-1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluorononan-2-ol
CID 162348309
2-butan-2-yl-6-(trifluoromethyl)phenol
CID 10214490
2-(2-amino-4-propan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 76847626
1,1,1,3,3,3-hexafluoro-2-[2-methyl-4-(5-methylhexan-3-yl)phenyl]propan-2-ol
CID 123946520
2-(4-butan-2-ylphenyl)-1,1,1,3,3-pentafluoropropan-2-ol
CID 20756244
2-(2,3-difluoro-4-methylphenyl)propan-1-ol
CID 117280430
2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
CID 86590042
4-butan-2-yl-N-methyl-3-(trifluoromethyl)aniline
CID 177190079

Frequently Asked Questions

What is the IUPAC name of 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 23528254) is 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1F.
What is the InChIKey of 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is NETWRVWJCXURPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F8O/c1-3-6(2)7-4-5-8(10(15)9(7)14)11(22,12(16,17)18)13(19,20)21/h4-6,22H,3H2,1-2H3.
What are the key properties of 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 336.22 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butan-2-yl-2,3-difluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 23528254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).