2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol

C19H20F2O — CID 15133048

IUPAC2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2O/c1-19(2,3)17(12-22)18(13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11,22H,12H2,1-3H3
InChIKeyCMFMQGUPRKROKA-UHFFFAOYSA-N
MW302.36 g/mol
LogP4.81
Rot. Bonds3

About 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol

2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol (PubChem CID 15133048) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol
PubChem CID15133048
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C19H20F2O/c1-19(2,3)17(12-22)18(13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11,22H,12H2,1-3H3
InChIKeyCMFMQGUPRKROKA-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[3,3,3-trifluoro-1-(4-fluorophenyl)-2-(trifluoromethyl)prop-1-enyl]benzene
CID 132603934
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
2-bromo-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 13113175
2-(ethylamino)-1-(4-fluorophenyl)-2-methylpropan-1-one
CID 116566054
2-(4-fluorophenyl)sulfanyl-2-methylpropan-1-ol
CID 116852254
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
chloromethane;4-fluorobenzamide
CID 158476805
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-methylpropan-1-ol
CID 115133734
(2-fluoro-2-methylpropyl) 4-fluorobenzoate
CID 146162315
2-[(4-fluorophenyl)-(4-methylsulfonylphenyl)methylidene]-4-hydroxybutanoic acid
CID 54140882

Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol?
The IUPAC name of 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol (CID 15133048) is 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol is CC(C)(C)C(CO)=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol?
The InChIKey is CMFMQGUPRKROKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O/c1-19(2,3)17(12-22)18(13-4-8-15(20)9-5-13)14-6-10-16(21)11-7-14/h4-11,22H,12H2,1-3H3.
What are the key properties of 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol?
2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol has a molecular weight of 302.36 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 15133048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).