(2-chloro-1,2-difluoro-1-methoxyethyl)benzene

C9H9ClF2O — CID 11106546

IUPAC(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
SMILESCOC(F)(c1ccccc1)C(F)Cl
InChIInChI=1S/C9H9ClF2O/c1-13-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyPLVNRVRMWKTXFG-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.99
Rot. Bonds3

About (2-chloro-1,2-difluoro-1-methoxyethyl)benzene

(2-chloro-1,2-difluoro-1-methoxyethyl)benzene (PubChem CID 11106546) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is (2-chloro-1,2-difluoro-1-methoxyethyl)benzene.

Molecular Properties

Compound Name(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
PubChem CID11106546
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name(2-chloro-1,2-difluoro-1-methoxyethyl)benzene
SMILESCOC(F)(c1ccccc1)C(F)Cl
InChIInChI=1S/C9H9ClF2O/c1-13-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyPLVNRVRMWKTXFG-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-1,2-difluoro-1-methoxyethyl)benzene?
The IUPAC name of (2-chloro-1,2-difluoro-1-methoxyethyl)benzene (CID 11106546) is (2-chloro-1,2-difluoro-1-methoxyethyl)benzene.
What is the SMILES notation for (2-chloro-1,2-difluoro-1-methoxyethyl)benzene?
The canonical SMILES for (2-chloro-1,2-difluoro-1-methoxyethyl)benzene is COC(F)(c1ccccc1)C(F)Cl.
What is the InChIKey of (2-chloro-1,2-difluoro-1-methoxyethyl)benzene?
The InChIKey is PLVNRVRMWKTXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-13-9(12,8(10)11)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of (2-chloro-1,2-difluoro-1-methoxyethyl)benzene?
(2-chloro-1,2-difluoro-1-methoxyethyl)benzene has a molecular weight of 206.62 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-1,2-difluoro-1-methoxyethyl)benzene is sourced from PubChem (CID 11106546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).