1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol

C19H12F12O — CID 172768218

IUPAC1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F12O/c1-15(32,10-4-13(18(26,27)28)7-14(5-10)19(29,30)31)8-9-2-11(16(20,21)22)6-12(3-9)17(23,24)25/h2-7,32H,8H2,1H3
InChIKeyMPGQJSYLELLGMX-UHFFFAOYSA-N
MW484.28 g/mol
LogP7.21
Rot. Bonds3

About 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol

1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 172768218) has the molecular formula C19H12F12O and a molecular weight of 484.28 g/mol. Its IUPAC name is 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
PubChem CID172768218
Molecular FormulaC19H12F12O
Molecular Weight484.28 g/mol
Exact Mass484.07
IUPAC Name1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H12F12O/c1-15(32,10-4-13(18(26,27)28)7-14(5-10)19(29,30)31)8-9-2-11(16(20,21)22)6-12(3-9)17(23,24)25/h2-7,32H,8H2,1H3
InChIKeyMPGQJSYLELLGMX-UHFFFAOYSA-N
XLogP7.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.28
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
CID 10830106
1-(2-ethyl-2-methylbutyl)-3,5-bis(trifluoromethyl)benzene
CID 134492440
1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-methylpropan-2-ol
CID 91657147
2-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-hydroxypropanedioic acid
CID 139684663
2-(4-bromophenyl)-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 65145339
3-[3,5-bis(trifluoromethyl)phenyl]-3-hydroxybutanamide
CID 89166264
2-[3-propyl-5-(trifluoromethyl)phenyl]propan-2-ol
CID 162614763
(2S)-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 146163800
2-[3-methyl-5-(trifluoromethyl)phenyl]pent-4-yn-2-ol
CID 130211257
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
2-N,4-N,6-N-tris[[3,5-bis(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 162538922
1-methyl-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene
CID 142829661

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol (CID 172768218) is 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol is CC(O)(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is MPGQJSYLELLGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F12O/c1-15(32,10-4-13(18(26,27)28)7-14(5-10)19(29,30)31)8-9-2-11(16(20,21)22)6-12(3-9)17(23,24)25/h2-7,32H,8H2,1H3.
What are the key properties of 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol?
1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 484.28 g/mol, XLogP of 7.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[3,5-bis(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 172768218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).