1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol

C11H11ClF4O2 — CID 107477047

IUPAC1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H11ClF4O2/c12-7-4-9(14)8(13)3-6(7)10(17)1-2-18-5-11(15)16/h3-4,10-11,17H,1-2,5H2
InChIKeyPWTGTOAJPDEBSY-UHFFFAOYSA-N
MW286.65 g/mol
LogP3.32
Rot. Bonds6

About 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol

1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol (PubChem CID 107477047) has the molecular formula C11H11ClF4O2 and a molecular weight of 286.65 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
PubChem CID107477047
Molecular FormulaC11H11ClF4O2
Molecular Weight286.65 g/mol
Exact Mass286.04
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
SMILESOC(CCOCC(F)F)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C11H11ClF4O2/c12-7-4-9(14)8(13)3-6(7)10(17)1-2-18-5-11(15)16/h3-4,10-11,17H,1-2,5H2
InChIKeyPWTGTOAJPDEBSY-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.65
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dibromophenyl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210074
1-(2-chloro-4,5-difluorophenyl)-3,3,3-trifluoropropan-1-ol
CID 107477160
3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol
CID 103147761
1-bromo-2-chloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]-5-fluorobenzene
CID 103211447
3-(2,2-difluoroethoxy)-1-(3-fluorophenyl)propan-1-ol
CID 103147844
[1-(2-chloro-5-fluorophenyl)-3-(2,2-difluoroethoxy)propyl]hydrazine
CID 103152085
1-(4-chloro-2,5-difluorophenyl)-2-methoxyethanol
CID 115819128
1-(2-chloro-4,5-difluorophenyl)-3-methylpentan-1-ol
CID 107477075
1-chloro-4-[1-chloro-3-(2,2-difluoroethoxy)propyl]-2,5-dimethylbenzene
CID 103211133
(1R)-2-bromo-1-(2,4-dichloro-5-fluorophenyl)ethanol
CID 83001570
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
1-(2-chloro-5-fluorophenyl)-3-methoxypropan-1-ol
CID 105394437

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol (CID 107477047) is 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol is OC(CCOCC(F)F)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
The InChIKey is PWTGTOAJPDEBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF4O2/c12-7-4-9(14)8(13)3-6(7)10(17)1-2-18-5-11(15)16/h3-4,10-11,17H,1-2,5H2.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol?
1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol has a molecular weight of 286.65 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-3-(2,2-difluoroethoxy)propan-1-ol is sourced from PubChem (CID 107477047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).