2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene

C10H9Cl2F3O — CID 61080616

IUPAC2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene
SMILESCOc1ccc(C(Cl)CC(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3O/c1-16-9-3-2-6(4-7(9)11)8(12)5-10(13,14)15/h2-4,8H,5H2,1H3
InChIKeyCETMSYLOJDMBGC-UHFFFAOYSA-N
MW273.08 g/mol
LogP4.58
Rot. Bonds3

About 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene

2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene (PubChem CID 61080616) has the molecular formula C10H9Cl2F3O and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene
PubChem CID61080616
Molecular FormulaC10H9Cl2F3O
Molecular Weight273.08 g/mol
Exact Mass272.00
IUPAC Name2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene
SMILESCOc1ccc(C(Cl)CC(F)(F)F)cc1Cl
InChIInChI=1S/C10H9Cl2F3O/c1-16-9-3-2-6(4-7(9)11)8(12)5-10(13,14)15/h2-4,8H,5H2,1H3
InChIKeyCETMSYLOJDMBGC-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 54.58
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

4-(1-chloro-3,3,3-trifluoropropyl)-1,2-diethoxybenzene
CID 61084159
2-chloro-4-(1-chlorohexyl)-1-methoxybenzene
CID 63431280
1,2-dichloro-4-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]benzene
CID 63431003
1-chloro-2-[2-chloro-2-(3-chloro-4-methoxyphenyl)ethyl]-3-fluorobenzene
CID 63429035
3-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutanoic acid
CID 65021359
1,3-dichloro-5-[chloro-(3-chloro-4-methoxyphenyl)methyl]benzene
CID 55198869
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679
2-(3-chloro-4-methoxyphenyl)propan-1-amine
CID 14579475
N-chloro-1-(3-chloro-4-methoxyphenyl)ethanamine
CID 123395462
1-(3-chloro-4-methoxyphenyl)ethylazanium chloride
CID 10560966
(3-chloro-4-methoxyphenyl)-(4-fluorophenyl)methanol
CID 61100698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene?
The IUPAC name of 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene (CID 61080616) is 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene.
What is the SMILES notation for 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene?
The canonical SMILES for 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene is COc1ccc(C(Cl)CC(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene?
The InChIKey is CETMSYLOJDMBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O/c1-16-9-3-2-6(4-7(9)11)8(12)5-10(13,14)15/h2-4,8H,5H2,1H3.
What are the key properties of 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene?
2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene has a molecular weight of 273.08 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene is sourced from PubChem (CID 61080616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).