(1R)-2,2-difluoro-1-phenylbut-3-en-1-ol

C10H10F2O — CID 11159702

IUPAC(1R)-2,2-difluoro-1-phenylbut-3-en-1-ol
SMILESC=CC(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C10H10F2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h2-7,9,13H,1H2/t9-/m1/s1
InChIKeyPCOBHYVRIHZCJK-SECBINFHSA-N
MW184.19 g/mol
LogP2.54
Rot. Bonds3

About (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol

(1R)-2,2-difluoro-1-phenylbut-3-en-1-ol (PubChem CID 11159702) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1R)-2,2-difluoro-1-phenylbut-3-en-1-ol
PubChem CID11159702
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(1R)-2,2-difluoro-1-phenylbut-3-en-1-ol
SMILESC=CC(F)(F)[C@H](O)c1ccccc1
InChIInChI=1S/C10H10F2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h2-7,9,13H,1H2/t9-/m1/s1
InChIKeyPCOBHYVRIHZCJK-SECBINFHSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzyl Alcohol
CID 244
2-Phenyl-2-propanol
CID 12053
2-Phenylethanol
CID 6054
1-Phenylethanol
CID 7409
1-Phenyl-1-propanol
CID 7147
Fenipentol
CID 3338
4-Methylbenzyl alcohol
CID 11505
Mandelonitrile
CID 10758
Benzhydrol
CID 7037
1-Phenyl-1,2-ethanediol
CID 7149
p,alpha-DIMETHYLBENZYL ALCOHOL
CID 10817
3-Methylbenzyl alcohol
CID 11476

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol?
The IUPAC name of (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol (CID 11159702) is (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol is C=CC(F)(F)[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol?
The InChIKey is PCOBHYVRIHZCJK-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-10(11,12)9(13)8-6-4-3-5-7-8/h2-7,9,13H,1H2/t9-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol?
(1R)-2,2-difluoro-1-phenylbut-3-en-1-ol has a molecular weight of 184.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 11159702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).