(2,6-difluorophenyl)methyl hypochlorite

C7H5ClF2O — CID 70312638

IUPAC(2,6-difluorophenyl)methyl hypochlorite
SMILESFc1cccc(F)c1COCl
InChIInChI=1S/C7H5ClF2O/c8-11-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyHSVXMPQJYUWLJK-UHFFFAOYSA-N
MW178.57 g/mol
LogP2.64
Rot. Bonds2

About (2,6-difluorophenyl)methyl hypochlorite

(2,6-difluorophenyl)methyl hypochlorite (PubChem CID 70312638) has the molecular formula C7H5ClF2O and a molecular weight of 178.57 g/mol. Its IUPAC name is (2,6-difluorophenyl)methyl hypochlorite.

Molecular Properties

Compound Name(2,6-difluorophenyl)methyl hypochlorite
PubChem CID70312638
Molecular FormulaC7H5ClF2O
Molecular Weight178.57 g/mol
Exact Mass178.00
IUPAC Name(2,6-difluorophenyl)methyl hypochlorite
SMILESFc1cccc(F)c1COCl
InChIInChI=1S/C7H5ClF2O/c8-11-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKeyHSVXMPQJYUWLJK-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.57
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
1,3-difluoro-2-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxymethyl]benzene
CID 123356933
2-(2-chloroethyl)-3-fluorophenol
CID 154073963
N-chloro-1-(2,6-difluorophenyl)methanamine
CID 126658076
(2,6-difluorophenyl)methoxyphosphonamidic acid
CID 166772291
1,3-difluoro-2-[(2-iodophenoxy)methyl]benzene
CID 114930275
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
(2S,3S)-2-[(2,6-difluorophenyl)methoxy]-3-methylpentanal
CID 131862169
(2,6-difluorophenyl)methyl-triethoxysilane
CID 146004962
4-[(2,6-difluorophenyl)methoxy]-3-methylbenzenesulfonyl chloride
CID 114930150
5-[(2,6-difluorophenyl)methoxy]-2,4-difluoroaniline
CID 58022350

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methyl hypochlorite?
The IUPAC name of (2,6-difluorophenyl)methyl hypochlorite (CID 70312638) is (2,6-difluorophenyl)methyl hypochlorite.
What is the SMILES notation for (2,6-difluorophenyl)methyl hypochlorite?
The canonical SMILES for (2,6-difluorophenyl)methyl hypochlorite is Fc1cccc(F)c1COCl.
What is the InChIKey of (2,6-difluorophenyl)methyl hypochlorite?
The InChIKey is HSVXMPQJYUWLJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2O/c8-11-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2.
What are the key properties of (2,6-difluorophenyl)methyl hypochlorite?
(2,6-difluorophenyl)methyl hypochlorite has a molecular weight of 178.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methyl hypochlorite is sourced from PubChem (CID 70312638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).