(2,4-difluoro-5-nitrophenyl)methanol

C7H5F2NO3 — CID 43753541

IUPAC(2,4-difluoro-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(CO)c(F)cc1F
InChIInChI=1S/C7H5F2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-2,11H,3H2
InChIKeyVPJNXLNSNZEHSQ-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.37
Rot. Bonds2

About (2,4-difluoro-5-nitrophenyl)methanol

(2,4-difluoro-5-nitrophenyl)methanol (PubChem CID 43753541) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is (2,4-difluoro-5-nitrophenyl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-5-nitrophenyl)methanol
PubChem CID43753541
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name(2,4-difluoro-5-nitrophenyl)methanol
SMILESO=[N+]([O-])c1cc(CO)c(F)cc1F
InChIInChI=1S/C7H5F2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-2,11H,3H2
InChIKeyVPJNXLNSNZEHSQ-UHFFFAOYSA-N
XLogP1.37
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.12
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,4-difluoro-2,5-dinitrobenzene
CID 14951568
(2,4,5-trinitrophenyl)methanol
CID 53422846
[4-[bis(prop-2-enyl)amino]-2-fluoro-5-nitrophenyl]methanol
CID 59395155
methyl 2-[5-fluoro-4-(hydroxymethyl)-2-nitrophenoxy]acetate
CID 176611679
(4-chloro-5-fluoro-2-nitrophenyl)methanol
CID 91619131
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
N-[(2,4-difluoro-5-nitrophenyl)methyl]-2-methylprop-2-en-1-amine
CID 114615391
2-[(2,4-difluoro-5-nitrophenyl)methylamino]-4-methylpentan-1-ol
CID 61245835
acetic acid;1,2,4-trifluoro-5-nitrobenzene
CID 174830046
2-[2-(bromomethyl)-5-fluoro-4-nitrophenyl]acetic acid
CID 171010475
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586
1,5-difluoro-2-(fluoromethoxy)-4-nitrobenzene
CID 118852839

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-5-nitrophenyl)methanol?
The IUPAC name of (2,4-difluoro-5-nitrophenyl)methanol (CID 43753541) is (2,4-difluoro-5-nitrophenyl)methanol.
What is the SMILES notation for (2,4-difluoro-5-nitrophenyl)methanol?
The canonical SMILES for (2,4-difluoro-5-nitrophenyl)methanol is O=[N+]([O-])c1cc(CO)c(F)cc1F.
What is the InChIKey of (2,4-difluoro-5-nitrophenyl)methanol?
The InChIKey is VPJNXLNSNZEHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-5-2-6(9)7(10(12)13)1-4(5)3-11/h1-2,11H,3H2.
What are the key properties of (2,4-difluoro-5-nitrophenyl)methanol?
(2,4-difluoro-5-nitrophenyl)methanol has a molecular weight of 189.12 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluoro-5-nitrophenyl)methanol is sourced from PubChem (CID 43753541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).