1-(1-chloroethyl)-2-(difluoromethoxy)benzene

C9H9ClF2O — CID 43114935

IUPAC1-(1-chloroethyl)-2-(difluoromethoxy)benzene
SMILESCC(Cl)c1ccccc1OC(F)F
InChIInChI=1S/C9H9ClF2O/c1-6(10)7-4-2-3-5-8(7)13-9(11)12/h2-6,9H,1H3
InChIKeyJDQKKCFAUPPJCO-UHFFFAOYSA-N
MW206.62 g/mol
LogP3.59
Rot. Bonds3

About 1-(1-chloroethyl)-2-(difluoromethoxy)benzene

1-(1-chloroethyl)-2-(difluoromethoxy)benzene (PubChem CID 43114935) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 1-(1-chloroethyl)-2-(difluoromethoxy)benzene.

Molecular Properties

Compound Name1-(1-chloroethyl)-2-(difluoromethoxy)benzene
PubChem CID43114935
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name1-(1-chloroethyl)-2-(difluoromethoxy)benzene
SMILESCC(Cl)c1ccccc1OC(F)F
InChIInChI=1S/C9H9ClF2O/c1-6(10)7-4-2-3-5-8(7)13-9(11)12/h2-6,9H,1H3
InChIKeyJDQKKCFAUPPJCO-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(difluoromethoxy)phenyl]-2-methylpropan-1-ol
CID 63894804
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
(1S)-1-[2-(difluoromethoxy)phenyl]propan-1-ol
CID 78930737
1-[2-(difluoromethoxy)phenyl]-3-methylbutan-1-ol
CID 63893645
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995
2,6-dichloro-N-[1-[2-(difluoromethoxy)phenyl]ethyl]aniline
CID 65468369
1-[bromo-[2-(difluoromethoxy)phenyl]methyl]-4-propan-2-ylbenzene
CID 63443290
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084727
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,3,5-trifluorobenzene
CID 63430465
1-[2-(difluoromethoxy)phenyl]-5-methylhexan-1-ol
CID 83158841
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-2-(difluoromethoxy)benzene?
The IUPAC name of 1-(1-chloroethyl)-2-(difluoromethoxy)benzene (CID 43114935) is 1-(1-chloroethyl)-2-(difluoromethoxy)benzene.
What is the SMILES notation for 1-(1-chloroethyl)-2-(difluoromethoxy)benzene?
The canonical SMILES for 1-(1-chloroethyl)-2-(difluoromethoxy)benzene is CC(Cl)c1ccccc1OC(F)F.
What is the InChIKey of 1-(1-chloroethyl)-2-(difluoromethoxy)benzene?
The InChIKey is JDQKKCFAUPPJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-6(10)7-4-2-3-5-8(7)13-9(11)12/h2-6,9H,1H3.
What are the key properties of 1-(1-chloroethyl)-2-(difluoromethoxy)benzene?
1-(1-chloroethyl)-2-(difluoromethoxy)benzene has a molecular weight of 206.62 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloroethyl)-2-(difluoromethoxy)benzene is sourced from PubChem (CID 43114935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).