(2,5-difluorophenyl)methyl carbonochloridate

C8H5ClF2O2 — CID 83820147

IUPAC(2,5-difluorophenyl)methyl carbonochloridate
SMILESO=C(Cl)OCc1cc(F)ccc1F
InChIInChI=1S/C8H5ClF2O2/c9-8(12)13-4-5-3-6(10)1-2-7(5)11/h1-3H,4H2
InChIKeyMJBWXAHNRDNMOZ-UHFFFAOYSA-N
MW206.57 g/mol
LogP2.84
Rot. Bonds2

About (2,5-difluorophenyl)methyl carbonochloridate

(2,5-difluorophenyl)methyl carbonochloridate (PubChem CID 83820147) has the molecular formula C8H5ClF2O2 and a molecular weight of 206.57 g/mol. Its IUPAC name is (2,5-difluorophenyl)methyl carbonochloridate.

Molecular Properties

Compound Name(2,5-difluorophenyl)methyl carbonochloridate
PubChem CID83820147
Molecular FormulaC8H5ClF2O2
Molecular Weight206.57 g/mol
Exact Mass205.99
IUPAC Name(2,5-difluorophenyl)methyl carbonochloridate
SMILESO=C(Cl)OCc1cc(F)ccc1F
InChIInChI=1S/C8H5ClF2O2/c9-8(12)13-4-5-3-6(10)1-2-7(5)11/h1-3H,4H2
InChIKeyMJBWXAHNRDNMOZ-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.57
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 19360584
(2,5-difluorophenyl)methyl 2,2,3,3,3-pentafluoropropanoate
CID 91713003
2-(2,5-difluorophenyl)acetamide
CID 21245498
(2,5-difluorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115547754
1-O-butyl 4-O-[(2,5-difluorophenyl)methyl] butanedioate
CID 91702376
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938
4-O-[(2,5-difluorophenyl)methyl] 1-O-hexadecyl butanedioate
CID 91712941
2-(2,5-difluorophenyl)acetate
CID 6951702
1-[(2,5-difluorophenyl)methoxy]-2-methylpropan-2-amine
CID 64537606
10-O-[(2,5-difluorophenyl)methyl] 1-O-pentyl decanedioate
CID 91713092
1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone
CID 116584834

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methyl carbonochloridate?
The IUPAC name of (2,5-difluorophenyl)methyl carbonochloridate (CID 83820147) is (2,5-difluorophenyl)methyl carbonochloridate.
What is the SMILES notation for (2,5-difluorophenyl)methyl carbonochloridate?
The canonical SMILES for (2,5-difluorophenyl)methyl carbonochloridate is O=C(Cl)OCc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methyl carbonochloridate?
The InChIKey is MJBWXAHNRDNMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2O2/c9-8(12)13-4-5-3-6(10)1-2-7(5)11/h1-3H,4H2.
What are the key properties of (2,5-difluorophenyl)methyl carbonochloridate?
(2,5-difluorophenyl)methyl carbonochloridate has a molecular weight of 206.57 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)methyl carbonochloridate is sourced from PubChem (CID 83820147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).