2-[4-(difluoromethoxy)phenyl]ethanol;ethane

C11H16F2O2 — CID 142357995

IUPAC2-[4-(difluoromethoxy)phenyl]ethanol;ethane
SMILESCC.OCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H10F2O2.C2H6/c10-9(11)13-8-3-1-7(2-4-8)5-6-12;1-2/h1-4,9,12H,5-6H2;1-2H3
InChIKeyQJZAGEAEKBBBPT-UHFFFAOYSA-N
MW218.24 g/mol
LogP2.85
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]ethanol;ethane

2-[4-(difluoromethoxy)phenyl]ethanol;ethane (PubChem CID 142357995) has the molecular formula C11H16F2O2 and a molecular weight of 218.24 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]ethanol;ethane.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]ethanol;ethane
PubChem CID142357995
Molecular FormulaC11H16F2O2
Molecular Weight218.24 g/mol
Exact Mass218.11
IUPAC Name2-[4-(difluoromethoxy)phenyl]ethanol;ethane
SMILESCC.OCCc1ccc(OC(F)F)cc1
InChIInChI=1S/C9H10F2O2.C2H6/c10-9(11)13-8-3-1-7(2-4-8)5-6-12;1-2/h1-4,9,12H,5-6H2;1-2H3
InChIKeyQJZAGEAEKBBBPT-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
1-(difluoromethoxy)-4-[2-(4-ethoxyphenyl)ethyl]benzene
CID 19436101
5-[4-(difluoromethoxy)phenyl]-3-methyl-3-(methylamino)pentan-1-ol
CID 65234748
1-(3,3-difluorobutyl)-4-(difluoromethoxy)benzene
CID 142625431
(2R)-2-[4-[4-(difluoromethoxy)phenyl]butan-2-ylamino]propan-1-ol
CID 114987010
4-[4-(difluoromethoxy)phenyl]-1,1-difluoro-2-methylbutan-2-ol
CID 80605943
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]ethanol
CID 110901993
3-[4-(difluoromethoxy)phenyl]propan-1-amine
CID 53275741
3-[4-(2-hydroxyethyl)phenoxy]butan-2-one
CID 107709225
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]ethanol;ethane?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]ethanol;ethane (CID 142357995) is 2-[4-(difluoromethoxy)phenyl]ethanol;ethane.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]ethanol;ethane?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]ethanol;ethane is CC.OCCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]ethanol;ethane?
The InChIKey is QJZAGEAEKBBBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2.C2H6/c10-9(11)13-8-3-1-7(2-4-8)5-6-12;1-2/h1-4,9,12H,5-6H2;1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]ethanol;ethane?
2-[4-(difluoromethoxy)phenyl]ethanol;ethane has a molecular weight of 218.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]ethanol;ethane is sourced from PubChem (CID 142357995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).