1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

C11H10ClF5O2 — CID 103473924

IUPAC1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClF5O2/c12-6-1-2-7(8(13)3-6)9(18)4-19-5-11(16,17)10(14)15/h1-3,9-10,18H,4-5H2
InChIKeyFZCBUWAWUFYVPA-UHFFFAOYSA-N
MW304.64 g/mol
LogP3.43
Rot. Bonds6

About 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol

1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (PubChem CID 103473924) has the molecular formula C11H10ClF5O2 and a molecular weight of 304.64 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
PubChem CID103473924
Molecular FormulaC11H10ClF5O2
Molecular Weight304.64 g/mol
Exact Mass304.03
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
SMILESOC(COCC(F)(F)C(F)F)c1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClF5O2/c12-6-1-2-7(8(13)3-6)9(18)4-19-5-11(16,17)10(14)15/h1-3,9-10,18H,4-5H2
InChIKeyFZCBUWAWUFYVPA-UHFFFAOYSA-N
XLogP3.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.64
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474160
1-(2-fluoro-4-methoxyphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473939
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-(2-methoxy-3,4-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103473969
(1R,3S)-3-amino-1-(4-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171236858
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
(2R,3R)-3-amino-3-(4-chloro-2-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171159862
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
1-(4-chloro-2-fluorophenyl)-5,5-dimethylhex-3-yn-1-ol
CID 114190163

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol (CID 103473924) is 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is OC(COCC(F)(F)C(F)F)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
The InChIKey is FZCBUWAWUFYVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF5O2/c12-6-1-2-7(8(13)3-6)9(18)4-19-5-11(16,17)10(14)15/h1-3,9-10,18H,4-5H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol?
1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol has a molecular weight of 304.64 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol is sourced from PubChem (CID 103473924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).