(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol

C10H11FO — CID 10866732

IUPAC(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
SMILES[2H]C([2H])(O)/C(C)=C/c1ccc(F)cc1
InChIInChI=1S/C10H11FO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6+/i7D2
InChIKeyZUWHQNVJHRTDBF-CDSMUGGLSA-N
MW168.21 g/mol
LogP2.22
Rot. Bonds2

About (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol

(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 10866732) has the molecular formula C10H11FO and a molecular weight of 168.21 g/mol. Its IUPAC name is (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
PubChem CID10866732
Molecular FormulaC10H11FO
Molecular Weight168.21 g/mol
Exact Mass168.09
IUPAC Name(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol
SMILES[2H]C([2H])(O)/C(C)=C/c1ccc(F)cc1
InChIInChI=1S/C10H11FO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6+/i7D2
InChIKeyZUWHQNVJHRTDBF-CDSMUGGLSA-N
XLogP2.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,4E)-5-(4-fluorophenyl)-2,4-dimethylpenta-2,4-dien-1-ol
CID 159457366
2-[(4-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79335798
1-[(E)-3-(4-fluorophenyl)-2-methylprop-2-enyl]piperazine
CID 57436140
3-(4-fluorophenyl)-2-methylprop-2-enenitrile
CID 4610546
(E)-4-(4-fluorophenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435524
(Z)-2-fluoro-3-(4-fluorophenyl)prop-2-enenitrile
CID 56969228
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
CID 12922166
(Z)-1-(4-fluorophenyl)-3,3-dimethylbut-1-en-2-ol
CID 59942455
(2Z)-2-[(4-fluorophenyl)methylidene]-3,3-dimethylbutan-1-amine
CID 115025339
ethane-1,2-diol;4-fluorobenzaldehyde
CID 175223595
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
4-fluorobenzaldehyde;3-(4-fluorophenyl)-2-methylprop-2-enoic acid
CID 159204345

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol (CID 10866732) is (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol is [2H]C([2H])(O)/C(C)=C/c1ccc(F)cc1.
What is the InChIKey of (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is ZUWHQNVJHRTDBF-CDSMUGGLSA-N. The full InChI is InChI=1S/C10H11FO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6+/i7D2.
What are the key properties of (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol?
(E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 168.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-dideuterio-3-(4-fluorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 10866732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).