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

C11H12ClF3O2 — CID 61085585

IUPAC1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)CC(F)(F)F)c(OC)c1
InChIInChI=1S/C11H12ClF3O2/c1-16-7-3-4-8(10(5-7)17-2)9(12)6-11(13,14)15/h3-5,9H,6H2,1-2H3
InChIKeyCHAMBEKYAFCAES-UHFFFAOYSA-N
MW268.66 g/mol
LogP3.94
Rot. Bonds4

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

1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene (PubChem CID 61085585) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene
PubChem CID61085585
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene
SMILESCOc1ccc(C(Cl)CC(F)(F)F)c(OC)c1
InChIInChI=1S/C11H12ClF3O2/c1-16-7-3-4-8(10(5-7)17-2)9(12)6-11(13,14)15/h3-5,9H,6H2,1-2H3
InChIKeyCHAMBEKYAFCAES-UHFFFAOYSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-chloro-3,3,3-trifluoropropyl)-2-fluoro-4-methoxybenzene
CID 61083870
1-(1-chloro-2,2-difluoroethyl)-2,4-dimethoxybenzene
CID 103514415
1-bromo-5-(1-chloro-3,3,3-trifluoropropyl)-4-methoxy-2-methylbenzene
CID 65432991
1-[2-chloro-2-(2,4-dimethoxyphenyl)ethyl]piperidine
CID 82215428
1-chloro-1-(2,4-dimethoxyphenyl)-N-methylmethanamine
CID 116962062
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
2-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-1,4-dimethoxybenzene
CID 103210551
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
3,3,3-trifluoro-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 61101293
2-chloro-4-(1-chloro-3,3,3-trifluoropropyl)-1-methoxybenzene
CID 61080616
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
(1R)-1-(2,4-dimethoxyphenyl)-3-fluoropropan-1-amine
CID 171201093

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene?
The IUPAC name of 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene (CID 61085585) is 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene is COc1ccc(C(Cl)CC(F)(F)F)c(OC)c1.
What is the InChIKey of 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene?
The InChIKey is CHAMBEKYAFCAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/c1-16-7-3-4-8(10(5-7)17-2)9(12)6-11(13,14)15/h3-5,9H,6H2,1-2H3.
What are the key properties of 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene?
1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene has a molecular weight of 268.66 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-chloro-3,3,3-trifluoropropyl)-2,4-dimethoxybenzene is sourced from PubChem (CID 61085585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).