2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid

C10H9F2NO6 — CID 171027896

IUPAC2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid
SMILESCc1cc(OC(F)F)cc([N+](=O)[O-])c1C(O)C(=O)O
InChIInChI=1S/C10H9F2NO6/c1-4-2-5(19-10(11)12)3-6(13(17)18)7(4)8(14)9(15)16/h2-3,8,10,14H,1H3,(H,15,16)
InChIKeyBZIPJDPTIKQEEK-UHFFFAOYSA-N
MW277.18 g/mol
LogP1.62
Rot. Bonds5

About 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid

2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid (PubChem CID 171027896) has the molecular formula C10H9F2NO6 and a molecular weight of 277.18 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid
PubChem CID171027896
Molecular FormulaC10H9F2NO6
Molecular Weight277.18 g/mol
Exact Mass277.04
IUPAC Name2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid
SMILESCc1cc(OC(F)F)cc([N+](=O)[O-])c1C(O)C(=O)O
InChIInChI=1S/C10H9F2NO6/c1-4-2-5(19-10(11)12)3-6(13(17)18)7(4)8(14)9(15)16/h2-3,8,10,14H,1H3,(H,15,16)
InChIKeyBZIPJDPTIKQEEK-UHFFFAOYSA-N
XLogP1.62
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]acetic acid
CID 171032367
2-[5-(difluoromethoxy)-2-methyl-3-nitrophenyl]acetic acid
CID 171032371
2-[4-cyano-2-(difluoromethoxy)-6-nitrophenyl]-2-hydroxyacetic acid
CID 171015832
4-(difluoromethoxy)-2-methyl-6-nitrobenzenesulfonyl chloride
CID 171027755
2-[3-(difluoromethoxy)-5-methyl-4-nitrophenyl]-2-hydroxyacetic acid
CID 171028049
1-[2-bromo-5-(difluoromethoxy)-3-nitrophenyl]ethanone
CID 171032963
2-(4,5-dimethyl-2-nitrophenyl)-2-hydroxyacetic acid
CID 118806557
1-[4-(difluoromethoxy)-2-nitrophenyl]propan-2-one
CID 118813264
2-(2,4-dimethyl-5-nitrophenyl)-2-hydroxyacetic acid
CID 119002363
4-(difluoromethoxy)-2-nitroaniline
CID 15906034
2-(3-fluoro-2-methyl-6-nitrophenyl)-2-hydroxyacetic acid
CID 131557302
2-(4-bromo-2-fluoro-6-nitrophenyl)-2-hydroxyacetic acid
CID 118821996

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid (CID 171027896) is 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid is Cc1cc(OC(F)F)cc([N+](=O)[O-])c1C(O)C(=O)O.
What is the InChIKey of 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid?
The InChIKey is BZIPJDPTIKQEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO6/c1-4-2-5(19-10(11)12)3-6(13(17)18)7(4)8(14)9(15)16/h2-3,8,10,14H,1H3,(H,15,16).
What are the key properties of 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid?
2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid has a molecular weight of 277.18 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-2-methyl-6-nitrophenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 171027896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).