(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone

C12H11F3O2 — CID 116707050

IUPAC(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOC1(C(=O)c2ccc(F)c(F)c2F)CCC1
InChIInChI=1S/C12H11F3O2/c1-17-12(5-2-6-12)11(16)7-3-4-8(13)10(15)9(7)14/h3-4H,2,5-6H2,1H3
InChIKeyGWZCSEIMZWYXBS-UHFFFAOYSA-N
MW244.21 g/mol
LogP2.86
Rot. Bonds3

About (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone

(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone (PubChem CID 116707050) has the molecular formula C12H11F3O2 and a molecular weight of 244.21 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
PubChem CID116707050
Molecular FormulaC12H11F3O2
Molecular Weight244.21 g/mol
Exact Mass244.07
IUPAC Name(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone
SMILESCOC1(C(=O)c2ccc(F)c(F)c2F)CCC1
InChIInChI=1S/C12H11F3O2/c1-17-12(5-2-6-12)11(16)7-3-4-8(13)10(15)9(7)14/h3-4H,2,5-6H2,1H3
InChIKeyGWZCSEIMZWYXBS-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(1-methoxycyclopentyl)-(2,3,4-trifluorophenyl)methanone
CID 113432662
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxycycloheptyl)methanone
CID 106761933
(1-methoxycyclobutyl)-(2,4,5-trimethylphenyl)methanone
CID 116706943
(2,5-difluorophenyl)-(4-methoxypiperidin-4-yl)methanone
CID 114284487
(3,5-dimethylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706979
(1-methoxycyclopentyl)-[2-(trifluoromethyl)phenyl]methanone
CID 113432684
(2,4-dimethoxyphenyl)-(1-methoxycycloheptyl)methanone
CID 116750527
(1-methoxycyclobutyl)-(4-methyl-3-pyridinyl)methanone
CID 116706976
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
(1-ethoxycycloheptyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103395364
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone?
The IUPAC name of (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone (CID 116707050) is (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone.
What is the SMILES notation for (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone?
The canonical SMILES for (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone is COC1(C(=O)c2ccc(F)c(F)c2F)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone?
The InChIKey is GWZCSEIMZWYXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3O2/c1-17-12(5-2-6-12)11(16)7-3-4-8(13)10(15)9(7)14/h3-4H,2,5-6H2,1H3.
What are the key properties of (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone?
(1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone has a molecular weight of 244.21 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(2,3,4-trifluorophenyl)methanone is sourced from PubChem (CID 116707050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).