1-[3-(difluoromethyl)phenyl]-2-propoxyethanol

C12H16F2O2 — CID 115527685

IUPAC1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H16F2O2/c1-2-6-16-8-11(15)9-4-3-5-10(7-9)12(13)14/h3-5,7,11-12,15H,2,6,8H2,1H3
InChIKeyBBMKGNCQEGARNR-UHFFFAOYSA-N
MW230.25 g/mol
LogP3.08
Rot. Bonds6

About 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol

1-[3-(difluoromethyl)phenyl]-2-propoxyethanol (PubChem CID 115527685) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
PubChem CID115527685
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name1-[3-(difluoromethyl)phenyl]-2-propoxyethanol
SMILESCCCOCC(O)c1cccc(C(F)F)c1
InChIInChI=1S/C12H16F2O2/c1-2-6-16-8-11(15)9-4-3-5-10(7-9)12(13)14/h3-5,7,11-12,15H,2,6,8H2,1H3
InChIKeyBBMKGNCQEGARNR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopropyloxyphenyl)-2-propoxyethanol
CID 114521314
1-(3,4-dichlorophenyl)-2-propoxyethanol
CID 62539379
1-(3-fluoro-4-methoxyphenyl)-2-propoxyethanol
CID 62797147
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
1-(4-propan-2-ylphenyl)-2-(2-propoxyethoxy)ethanol
CID 63685305
1-(3-methylphenyl)-2-octoxyethanol
CID 55193418
1-(3-methylphenyl)-3-propoxypropan-1-ol
CID 105077821
1-[3-(difluoromethyl)phenyl]-2-(2-methoxyethylamino)ethanol
CID 115529301
1-[3-(difluoromethyl)phenyl]-2-phenylethanol
CID 115527640
2-[[3-(difluoromethyl)phenyl]-hydroxymethyl]-2-methylbutanenitrile
CID 113329432
[3-(difluoromethyl)phenyl]methanediol
CID 162564421
1-[3-(2-methylpropyl)phenyl]-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474140

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol?
The IUPAC name of 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol (CID 115527685) is 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol?
The canonical SMILES for 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol is CCCOCC(O)c1cccc(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol?
The InChIKey is BBMKGNCQEGARNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-2-6-16-8-11(15)9-4-3-5-10(7-9)12(13)14/h3-5,7,11-12,15H,2,6,8H2,1H3.
What are the key properties of 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol?
1-[3-(difluoromethyl)phenyl]-2-propoxyethanol has a molecular weight of 230.25 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)phenyl]-2-propoxyethanol is sourced from PubChem (CID 115527685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).