2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene

C9H7ClF4O — CID 61086434

IUPAC2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)C(F)(F)F
InChIInChI=1S/C9H7ClF4O/c1-15-7-3-2-5(11)4-6(7)8(10)9(12,13)14/h2-4,8H,1H3
InChIKeyZAYHDGFFHOAGDY-UHFFFAOYSA-N
MW242.60 g/mol
LogP3.68
Rot. Bonds2

About 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene

2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene (PubChem CID 61086434) has the molecular formula C9H7ClF4O and a molecular weight of 242.60 g/mol. Its IUPAC name is 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
PubChem CID61086434
Molecular FormulaC9H7ClF4O
Molecular Weight242.60 g/mol
Exact Mass242.01
IUPAC Name2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Cl)C(F)(F)F
InChIInChI=1S/C9H7ClF4O/c1-15-7-3-2-5(11)4-6(7)8(10)9(12,13)14/h2-4,8H,1H3
InChIKeyZAYHDGFFHOAGDY-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.60
LogP ≤ 53.68
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-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-fluoro-1-methoxybenzene
CID 103310717
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 82534391
2-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-4-fluoro-1-methoxybenzene
CID 103210669
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
(1R)-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 26597266
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
4-(1-chloro-2,2,2-trifluoroethyl)-2-fluoro-1-methoxybenzene
CID 61085047
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene (CID 61086434) is 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1C(Cl)C(F)(F)F.
What is the InChIKey of 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene?
The InChIKey is ZAYHDGFFHOAGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4O/c1-15-7-3-2-5(11)4-6(7)8(10)9(12,13)14/h2-4,8H,1H3.
What are the key properties of 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene?
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene has a molecular weight of 242.60 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 61086434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).