(2,4-difluorophenyl)methyl nitrite

C7H5F2NO2 — CID 174767305

IUPAC(2,4-difluorophenyl)methyl nitrite
SMILESO=NOCc1ccc(F)cc1F
InChIInChI=1S/C7H5F2NO2/c8-6-2-1-5(4-12-10-11)7(9)3-6/h1-3H,4H2
InChIKeyPMWCRJNNWWAAEH-UHFFFAOYSA-N
MW173.12 g/mol
LogP2.16
Rot. Bonds3

About (2,4-difluorophenyl)methyl nitrite

(2,4-difluorophenyl)methyl nitrite (PubChem CID 174767305) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is (2,4-difluorophenyl)methyl nitrite.

Molecular Properties

Compound Name(2,4-difluorophenyl)methyl nitrite
PubChem CID174767305
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(2,4-difluorophenyl)methyl nitrite
SMILESO=NOCc1ccc(F)cc1F
InChIInChI=1S/C7H5F2NO2/c8-6-2-1-5(4-12-10-11)7(9)3-6/h1-3H,4H2
InChIKeyPMWCRJNNWWAAEH-UHFFFAOYSA-N
XLogP2.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 64765828
4-[(2,4-difluorophenyl)methoxy]-4-oxobutanoic acid
CID 2843712
2-[(2,4-difluorophenyl)methoxy]-5-fluoroaniline
CID 62368347
1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
2,4-difluoro-1-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 58214144
N-[(2,4-difluorophenyl)methyl]methanimine
CID 123291562
1-(2,4-difluorophenyl)-3-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 58272812
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
3-[(2,4-difluorophenyl)methoxy]-1H-pyridin-2-one
CID 91482567
1-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 154453995
5-(2-chloro-2-nitrosoethyl)-2-[(2,4-difluorophenyl)methoxy]pyridine
CID 91373344
1-cyclopropyl-2-(2,4-difluorophenyl)ethanone
CID 23138773

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methyl nitrite?
The IUPAC name of (2,4-difluorophenyl)methyl nitrite (CID 174767305) is (2,4-difluorophenyl)methyl nitrite.
What is the SMILES notation for (2,4-difluorophenyl)methyl nitrite?
The canonical SMILES for (2,4-difluorophenyl)methyl nitrite is O=NOCc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)methyl nitrite?
The InChIKey is PMWCRJNNWWAAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-6-2-1-5(4-12-10-11)7(9)3-6/h1-3H,4H2.
What are the key properties of (2,4-difluorophenyl)methyl nitrite?
(2,4-difluorophenyl)methyl nitrite has a molecular weight of 173.12 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methyl nitrite is sourced from PubChem (CID 174767305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).