3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol

C11H13F3O2 — CID 103147844

IUPAC3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
SMILESOC(CCOCC(F)F)c1cccc(F)c1
InChIInChI=1S/C11H13F3O2/c12-9-3-1-2-8(6-9)10(15)4-5-16-7-11(13)14/h1-3,6,10-11,15H,4-5,7H2
InChIKeyOCCVIHBKDVSPLD-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.53
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol

3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol (PubChem CID 103147844) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
PubChem CID103147844
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
SMILESOC(CCOCC(F)F)c1cccc(F)c1
InChIInChI=1S/C11H13F3O2/c12-9-3-1-2-8(6-9)10(15)4-5-16-7-11(13)14/h1-3,6,10-11,15H,4-5,7H2
InChIKeyOCCVIHBKDVSPLD-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propyl]hydrazine
CID 103151788
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
5,5,5-trifluoro-1-(3-fluorophenyl)pentan-1-ol
CID 115515411
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
1-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105078293
(1S)-1-(3-fluorophenyl)-5,5-dimethylhexan-1-ol;hydrochloride
CID 158976565
methyl 4-(3-fluorophenyl)-4-hydroxybutanoate
CID 60731823
1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210074
tert-butyl N-[(3S)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
CID 155695819
tert-butyl N-[(3R)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
CID 154648435

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol (CID 103147844) is 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol is OC(CCOCC(F)F)c1cccc(F)c1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol?
The InChIKey is OCCVIHBKDVSPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c12-9-3-1-2-8(6-9)10(15)4-5-16-7-11(13)14/h1-3,6,10-11,15H,4-5,7H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol?
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 103147844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).