1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene

C13H14ClF3O2 — CID 113439942

IUPAC1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
SMILESCCOC1C(Cl)CC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14ClF3O2/c1-2-18-12-10(14)7-11(12)19-9-5-3-8(4-6-9)13(15,16)17/h3-6,10-12H,2,7H2,1H3
InChIKeyHOGJJJIXYQBGIQ-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.87
Rot. Bonds4

About 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene

1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene (PubChem CID 113439942) has the molecular formula C13H14ClF3O2 and a molecular weight of 294.70 g/mol. Its IUPAC name is 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
PubChem CID113439942
Molecular FormulaC13H14ClF3O2
Molecular Weight294.70 g/mol
Exact Mass294.06
IUPAC Name1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
SMILESCCOC1C(Cl)CC1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14ClF3O2/c1-2-18-12-10(14)7-11(12)19-9-5-3-8(4-6-9)13(15,16)17/h3-6,10-12H,2,7H2,1H3
InChIKeyHOGJJJIXYQBGIQ-UHFFFAOYSA-N
XLogP3.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.87
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-(3-chloro-2-ethoxycyclobutyl)oxy-4-(2-methylbutan-2-yl)benzene
CID 104675516
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-iodobenzene
CID 104675688
2-bromo-4-(3-chloro-2-ethoxycyclobutyl)oxy-1-(trifluoromethoxy)benzene
CID 102715069
2-ethoxy-3-[4-(trifluoromethyl)phenoxy]cyclobutan-1-one
CID 113439863
1-(3-bromo-2-propoxycyclobutyl)oxy-4-(trifluoromethyl)benzene
CID 107942872
1-(3-chloro-2-ethoxycyclobutyl)oxy-2,3,4,5,6-pentafluorobenzene
CID 104675732
2-ethoxy-3-[4-(2-methylbutan-2-yl)phenoxy]cyclobutan-1-ol
CID 104675287
1-(3-chloro-2-ethoxycyclobutyl)oxy-4,5-difluoro-2-methylbenzene
CID 114276833
2-ethoxy-N-ethyl-3-[3-(trifluoromethyl)phenoxy]cyclobutan-1-amine
CID 104676220
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
1-chloro-4-(3-chloro-2-ethoxycyclobutyl)oxynaphthalene
CID 104675740
4-(3-chloro-2-methoxycyclobutyl)oxy-1-fluoro-2-(trifluoromethyl)benzene
CID 102747757

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene (CID 113439942) is 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene is CCOC1C(Cl)CC1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene?
The InChIKey is HOGJJJIXYQBGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3O2/c1-2-18-12-10(14)7-11(12)19-9-5-3-8(4-6-9)13(15,16)17/h3-6,10-12H,2,7H2,1H3.
What are the key properties of 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene?
1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene has a molecular weight of 294.70 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-ethoxycyclobutyl)oxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 113439942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).