1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol

C10H10F4O3 — CID 80605336

IUPAC1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
SMILESCOc1ccc(C(O)C(F)F)cc1OC(F)F
InChIInChI=1S/C10H10F4O3/c1-16-6-3-2-5(8(15)9(11)12)4-7(6)17-10(13)14/h2-4,8-10,15H,1H3
InChIKeyOJKVDTDDMOGRTK-UHFFFAOYSA-N
MW254.18 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol

1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol (PubChem CID 80605336) has the molecular formula C10H10F4O3 and a molecular weight of 254.18 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
PubChem CID80605336
Molecular FormulaC10H10F4O3
Molecular Weight254.18 g/mol
Exact Mass254.06
IUPAC Name1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol
SMILESCOc1ccc(C(O)C(F)F)cc1OC(F)F
InChIInChI=1S/C10H10F4O3/c1-16-6-3-2-5(8(15)9(11)12)4-7(6)17-10(13)14/h2-4,8-10,15H,1H3
InChIKeyOJKVDTDDMOGRTK-UHFFFAOYSA-N
XLogP2.60
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(difluoromethoxy)-4-methoxyphenyl]-hydroxymethyl]butanoic acid
CID 62399237
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(2S)-2-amino-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethanol
CID 66514880
1-[3-(difluoromethoxy)-4-methoxyphenyl]-4,4,4-trifluorobutan-1-ol
CID 64564930
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-propan-2-yloxyethanol
CID 79567663
methyl 3-[3,4-bis(difluoromethoxy)phenyl]-2,3-dihydroxypropanoate
CID 171865250
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 61055320
(R)-[3,4-bis(difluoromethoxy)phenyl]-(3,5-dimethoxyphenyl)methanol
CID 129391775
1-[3-(difluoromethoxy)-4-methoxyphenyl]hex-4-yn-1-ol
CID 104809372
1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine
CID 16790112
2-[acetyl(methyl)amino]-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63701395
2-acetamido-2-[3-(difluoromethoxy)-4-methoxyphenyl]acetic acid
CID 63702399

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol?
The IUPAC name of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol (CID 80605336) is 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol.
What is the SMILES notation for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol?
The canonical SMILES for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol is COc1ccc(C(O)C(F)F)cc1OC(F)F.
What is the InChIKey of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol?
The InChIKey is OJKVDTDDMOGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4O3/c1-16-6-3-2-5(8(15)9(11)12)4-7(6)17-10(13)14/h2-4,8-10,15H,1H3.
What are the key properties of 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol?
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol has a molecular weight of 254.18 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)-4-methoxyphenyl]-2,2-difluoroethanol is sourced from PubChem (CID 80605336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).