[4-nitro-2-(trifluoromethoxy)phenyl]methanol

C8H6F3NO4 — CID 171028715

IUPAC[4-nitro-2-(trifluoromethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO4/c9-8(10,11)16-7-3-6(12(14)15)2-1-5(7)4-13/h1-3,13H,4H2
InChIKeyRQGXYYYLEQBQKU-UHFFFAOYSA-N
MW237.13 g/mol
LogP1.99
Rot. Bonds3

About [4-nitro-2-(trifluoromethoxy)phenyl]methanol

[4-nitro-2-(trifluoromethoxy)phenyl]methanol (PubChem CID 171028715) has the molecular formula C8H6F3NO4 and a molecular weight of 237.13 g/mol. Its IUPAC name is [4-nitro-2-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name[4-nitro-2-(trifluoromethoxy)phenyl]methanol
PubChem CID171028715
Molecular FormulaC8H6F3NO4
Molecular Weight237.13 g/mol
Exact Mass237.02
IUPAC Name[4-nitro-2-(trifluoromethoxy)phenyl]methanol
SMILESO=[N+]([O-])c1ccc(CO)c(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO4/c9-8(10,11)16-7-3-6(12(14)15)2-1-5(7)4-13/h1-3,13H,4H2
InChIKeyRQGXYYYLEQBQKU-UHFFFAOYSA-N
XLogP1.99
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl 2-[4-nitro-2-(trifluoromethoxy)phenyl]acetate
CID 171028760
4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
1-chloro-4-nitro-2-(trifluoromethoxy)benzene
CID 71669332
2-iodo-4-nitro-1-(trifluoromethoxy)benzene
CID 56604200
[2-nitro-4-(trifluoromethoxy)phenyl]methanol
CID 171028713
[4-nitro-2-(trifluoromethoxy)phenyl]hydrazine
CID 118807665
2-(difluoromethoxy)-4-nitro-1-(trifluoromethoxy)benzene
CID 46311619
[4-amino-2-(trifluoromethoxy)phenyl]methanol
CID 118822833
5-nitro-2-(trifluoromethoxy)benzamide
CID 131869132
2-methylsulfonyl-4-nitro-1-(trifluoromethoxy)benzene
CID 22311166
[5-nitro-2-(3,3,3-trifluoropropoxy)phenyl]methanol
CID 64564855
[2-[2-(methylamino)ethoxy]-4-nitrophenyl]methanol
CID 176908438

Frequently Asked Questions

What is the IUPAC name of [4-nitro-2-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of [4-nitro-2-(trifluoromethoxy)phenyl]methanol (CID 171028715) is [4-nitro-2-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for [4-nitro-2-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for [4-nitro-2-(trifluoromethoxy)phenyl]methanol is O=[N+]([O-])c1ccc(CO)c(OC(F)(F)F)c1.
What is the InChIKey of [4-nitro-2-(trifluoromethoxy)phenyl]methanol?
The InChIKey is RQGXYYYLEQBQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO4/c9-8(10,11)16-7-3-6(12(14)15)2-1-5(7)4-13/h1-3,13H,4H2.
What are the key properties of [4-nitro-2-(trifluoromethoxy)phenyl]methanol?
[4-nitro-2-(trifluoromethoxy)phenyl]methanol has a molecular weight of 237.13 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-nitro-2-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 171028715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).