2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol

C12H14F2O — CID 79334533

IUPAC2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1cc(F)ccc1F)CO
InChIInChI=1S/C12H14F2O/c1-8(2)10(7-15)5-9-6-11(13)3-4-12(9)14/h3-6,8,15H,7H2,1-2H3
InChIKeyUNFCAHGQJASVIN-UHFFFAOYSA-N
MW212.24 g/mol
LogP3.00
Rot. Bonds3

About 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol

2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol (PubChem CID 79334533) has the molecular formula C12H14F2O and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol
PubChem CID79334533
Molecular FormulaC12H14F2O
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol
SMILESCC(C)C(=Cc1cc(F)ccc1F)CO
InChIInChI=1S/C12H14F2O/c1-8(2)10(7-15)5-9-6-11(13)3-4-12(9)14/h3-6,8,15H,7H2,1-2H3
InChIKeyUNFCAHGQJASVIN-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(chloromethyl)-3-methylbut-1-enyl]-1,4-difluorobenzene
CID 79335632
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339685
1,4-difluoro-2-[(E)-2-nitroprop-1-enyl]benzene
CID 24721448
(E)-4-(2,5-difluorophenyl)-N-methylbut-3-en-2-amine
CID 103092190
(2E)-2-[(5-fluoro-2-methylphenyl)methylidene]-3-methyl-N-propylbutan-1-amine
CID 114075399
propan-2-yl 3-(2,5-difluorophenyl)-2-oxopropanoate
CID 18370385
2-[(E)-but-1-enyl]-1,4-difluorobenzene
CID 58787158
1-(2,5-difluorophenyl)sulfinyl-3-methylbutan-2-one
CID 79392957
2,5-difluorothiobenzaldehyde
CID 91234855
2-[2-(2,5-difluorophenyl)-1-fluoroethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171111290

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol?
The IUPAC name of 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol (CID 79334533) is 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol is CC(C)C(=Cc1cc(F)ccc1F)CO.
What is the InChIKey of 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol?
The InChIKey is UNFCAHGQJASVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O/c1-8(2)10(7-15)5-9-6-11(13)3-4-12(9)14/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol?
2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol has a molecular weight of 212.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)methylidene]-3-methylbutan-1-ol is sourced from PubChem (CID 79334533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).