1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol

C11H14F2O2 — CID 84681646

IUPAC1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
SMILESCOc1c(F)cc(C(C)F)cc1C(C)O
InChIInChI=1S/C11H14F2O2/c1-6(12)8-4-9(7(2)14)11(15-3)10(13)5-8/h4-7,14H,1-3H3
InChIKeyPAWASMHGQZGWRH-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.92
Rot. Bonds3

About 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol

1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol (PubChem CID 84681646) has the molecular formula C11H14F2O2 and a molecular weight of 216.23 g/mol. Its IUPAC name is 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol.

Molecular Properties

Compound Name1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
PubChem CID84681646
Molecular FormulaC11H14F2O2
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
SMILESCOc1c(F)cc(C(C)F)cc1C(C)O
InChIInChI=1S/C11H14F2O2/c1-6(12)8-4-9(7(2)14)11(15-3)10(13)5-8/h4-7,14H,1-3H3
InChIKeyPAWASMHGQZGWRH-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
CID 84680949
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
1-(5-ethyl-3-fluoro-2-methoxyphenyl)ethanol
CID 84668298
4-amino-4-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]butanoic acid
CID 117435434
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117362497
2-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117353320
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117362075
4-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]butan-1-amine
CID 117359967
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanal
CID 117328595
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
1-(3-bromo-5-fluoro-2-methoxyphenyl)ethanol
CID 84706860
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol?
The IUPAC name of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol (CID 84681646) is 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol.
What is the SMILES notation for 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol?
The canonical SMILES for 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol is COc1c(F)cc(C(C)F)cc1C(C)O.
What is the InChIKey of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol?
The InChIKey is PAWASMHGQZGWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O2/c1-6(12)8-4-9(7(2)14)11(15-3)10(13)5-8/h4-7,14H,1-3H3.
What are the key properties of 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol?
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol has a molecular weight of 216.23 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol is sourced from PubChem (CID 84681646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).