2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H14F6O — CID 23533128

IUPAC2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C13H14F6O/c1-3-8(2)9-5-4-6-10(7-9)11(20,12(14,15)16)13(17,18)19/h4-8,20H,3H2,1-2H3
InChIKeyBRBUBBGFIIIVDP-UHFFFAOYSA-N
MW300.24 g/mol
LogP4.51
Rot. Bonds3

About 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 23533128) has the molecular formula C13H14F6O and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID23533128
Molecular FormulaC13H14F6O
Molecular Weight300.24 g/mol
Exact Mass300.09
IUPAC Name2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCC(C)c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C13H14F6O/c1-3-8(2)9-5-4-6-10(7-9)11(20,12(14,15)16)13(17,18)19/h4-8,20H,3H2,1-2H3
InChIKeyBRBUBBGFIIIVDP-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

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2-(3-butan-2-ylphenyl)-1-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)propan-2-ol
CID 162348245
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
2-(3-tert-butylphenyl)propyl-dimethylsilane
CID 157076830
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049
1-butan-2-yl-3-[2-(4-tert-butylphenyl)-4-methylhexan-2-yl]benzene
CID 91072044
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-amine
CID 84666450
2-[3-butan-2-yl-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol;2,3,3,4,4,5,5,6-octafluorotricyclo[5.2.1.02,6]decane
CID 91433541
1-butan-2-yl-3-ethylbenzene
CID 528681

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 23533128) is 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CCC(C)c1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is BRBUBBGFIIIVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F6O/c1-3-8(2)9-5-4-6-10(7-9)11(20,12(14,15)16)13(17,18)19/h4-8,20H,3H2,1-2H3.
What are the key properties of 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 300.24 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 23533128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).