(2,4-difluoro-3-nitrophenyl)methanol

C7H5F2NO3 — CID 118991228

IUPAC(2,4-difluoro-3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1c(F)ccc(CO)c1F
InChIInChI=1S/C7H5F2NO3/c8-5-2-1-4(3-11)6(9)7(5)10(12)13/h1-2,11H,3H2
InChIKeyYJIXHIJDKYKWKD-UHFFFAOYSA-N
MW189.12 g/mol
LogP1.37
Rot. Bonds2

About (2,4-difluoro-3-nitrophenyl)methanol

(2,4-difluoro-3-nitrophenyl)methanol (PubChem CID 118991228) has the molecular formula C7H5F2NO3 and a molecular weight of 189.12 g/mol. Its IUPAC name is (2,4-difluoro-3-nitrophenyl)methanol.

Molecular Properties

Compound Name(2,4-difluoro-3-nitrophenyl)methanol
PubChem CID118991228
Molecular FormulaC7H5F2NO3
Molecular Weight189.12 g/mol
Exact Mass189.02
IUPAC Name(2,4-difluoro-3-nitrophenyl)methanol
SMILESO=[N+]([O-])c1c(F)ccc(CO)c1F
InChIInChI=1S/C7H5F2NO3/c8-5-2-1-4(3-11)6(9)7(5)10(12)13/h1-2,11H,3H2
InChIKeyYJIXHIJDKYKWKD-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-(chloromethyl)-2,4-difluoro-3-nitrobenzene
CID 67924530
2-(2,4-difluoro-3-nitrophenyl)acetaldehyde
CID 129164971
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
2,4-difluoro-3-nitrobenzoic acid
CID 69257842
3-(chloromethyl)-6-fluoro-2-nitroaniline
CID 130848231
(3,4-dimethyl-2-nitrophenyl)methanol
CID 130867143
2-(3,6-difluoro-2-nitrophenyl)acetic acid
CID 131580413
[2-nitro-3,4-bis(trifluoromethyl)phenyl]methanol
CID 134638914
(3-fluoro-4-methyl-2-nitrophenyl)methanamine
CID 130968438
3,6-difluoro-2-nitrobenzamide
CID 131169296
4-(2,4-difluoro-3-nitrophenyl)benzoic acid
CID 69349295

Frequently Asked Questions

What is the IUPAC name of (2,4-difluoro-3-nitrophenyl)methanol?
The IUPAC name of (2,4-difluoro-3-nitrophenyl)methanol (CID 118991228) is (2,4-difluoro-3-nitrophenyl)methanol.
What is the SMILES notation for (2,4-difluoro-3-nitrophenyl)methanol?
The canonical SMILES for (2,4-difluoro-3-nitrophenyl)methanol is O=[N+]([O-])c1c(F)ccc(CO)c1F.
What is the InChIKey of (2,4-difluoro-3-nitrophenyl)methanol?
The InChIKey is YJIXHIJDKYKWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO3/c8-5-2-1-4(3-11)6(9)7(5)10(12)13/h1-2,11H,3H2.
What are the key properties of (2,4-difluoro-3-nitrophenyl)methanol?
(2,4-difluoro-3-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-3-nitrophenyl)methanol is sourced from PubChem (CID 118991228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).