2-[2-(2,2-difluorobutyl)phenoxy]ethanol

C12H16F2O2 — CID 58241862

IUPAC2-[2-(2,2-difluorobutyl)phenoxy]ethanol
SMILESCCC(F)(F)Cc1ccccc1OCCO
InChIInChI=1S/C12H16F2O2/c1-2-12(13,14)9-10-5-3-4-6-11(10)16-8-7-15/h3-6,15H,2,7-9H2,1H3
InChIKeyJBJJRLYJFPTBNX-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.65
Rot. Bonds6

About 2-[2-(2,2-difluorobutyl)phenoxy]ethanol

2-[2-(2,2-difluorobutyl)phenoxy]ethanol (PubChem CID 58241862) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[2-(2,2-difluorobutyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,2-difluorobutyl)phenoxy]ethanol
PubChem CID58241862
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name2-[2-(2,2-difluorobutyl)phenoxy]ethanol
SMILESCCC(F)(F)Cc1ccccc1OCCO
InChIInChI=1S/C12H16F2O2/c1-2-12(13,14)9-10-5-3-4-6-11(10)16-8-7-15/h3-6,15H,2,7-9H2,1H3
InChIKeyJBJJRLYJFPTBNX-UHFFFAOYSA-N
XLogP2.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2-pentoxyphenyl)propan-1-ol
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2-[2-[(3S)-3-methylhexyl]phenoxy]ethanol
CID 58242057
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CID 170716854
2-(2-pentoxyphenyl)ethanol
CID 91657515
2-[2-(3-hydroxypropoxy)phenyl]acetic acid
CID 80742548
1-(2-ethoxyphenyl)-2-methylpropan-2-ol
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N-[[2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]phenyl]methyl]ethanamine
CID 66274881

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluorobutyl)phenoxy]ethanol?
The IUPAC name of 2-[2-(2,2-difluorobutyl)phenoxy]ethanol (CID 58241862) is 2-[2-(2,2-difluorobutyl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(2,2-difluorobutyl)phenoxy]ethanol?
The canonical SMILES for 2-[2-(2,2-difluorobutyl)phenoxy]ethanol is CCC(F)(F)Cc1ccccc1OCCO.
What is the InChIKey of 2-[2-(2,2-difluorobutyl)phenoxy]ethanol?
The InChIKey is JBJJRLYJFPTBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-2-12(13,14)9-10-5-3-4-6-11(10)16-8-7-15/h3-6,15H,2,7-9H2,1H3.
What are the key properties of 2-[2-(2,2-difluorobutyl)phenoxy]ethanol?
2-[2-(2,2-difluorobutyl)phenoxy]ethanol has a molecular weight of 230.25 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluorobutyl)phenoxy]ethanol is sourced from PubChem (CID 58241862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).