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

C13H18F2O2 — CID 117362497

IUPAC2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1c(F)cc(C(C)F)cc1C(C)(C)CO
InChIInChI=1S/C13H18F2O2/c1-8(14)9-5-10(13(2,3)7-16)12(17-4)11(15)6-9/h5-6,8,16H,7H2,1-4H3
InChIKeyFKJUNMJYPBVAFU-UHFFFAOYSA-N
MW244.28 g/mol
LogP3.13
Rot. Bonds4

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

2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol (PubChem CID 117362497) has the molecular formula C13H18F2O2 and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
PubChem CID117362497
Molecular FormulaC13H18F2O2
Molecular Weight244.28 g/mol
Exact Mass244.13
IUPAC Name2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
SMILESCOc1c(F)cc(C(C)F)cc1C(C)(C)CO
InChIInChI=1S/C13H18F2O2/c1-8(14)9-5-10(13(2,3)7-16)12(17-4)11(15)6-9/h5-6,8,16H,7H2,1-4H3
InChIKeyFKJUNMJYPBVAFU-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(1,1-difluoroethyl)-3-fluoro-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117409979
2-(3-fluoro-2-methoxy-5-nitrophenyl)-2-methylpropan-1-ol
CID 117359252
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanol
CID 84681646
2-[5-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332377
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117492168
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
2-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-methylpropan-1-ol
CID 82297608
1-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]ethanamine
CID 84680949
2-(4,6-difluoro-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117367449
2-[4-(difluoromethyl)-2-methoxyphenyl]-2-methylpropan-1-ol
CID 117332372
3-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]propanoic acid
CID 117362075
3-fluoro-5-(1-hydroxy-2-methylpropan-2-yl)-2-methoxybenzonitrile
CID 117319522

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol (CID 117362497) is 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol is COc1c(F)cc(C(C)F)cc1C(C)(C)CO.
What is the InChIKey of 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
The InChIKey is FKJUNMJYPBVAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O2/c1-8(14)9-5-10(13(2,3)7-16)12(17-4)11(15)6-9/h5-6,8,16H,7H2,1-4H3.
What are the key properties of 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol?
2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol has a molecular weight of 244.28 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(1-fluoroethyl)-2-methoxyphenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117362497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).