1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene

C11H10BrF3O2 — CID 68762081

IUPAC1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(OC(Br)C2CC2)c1
InChIInChI=1S/C11H10BrF3O2/c12-10(7-4-5-7)16-8-2-1-3-9(6-8)17-11(13,14)15/h1-3,6-7,10H,4-5H2
InChIKeyDCTIAMGDSJKIIR-UHFFFAOYSA-N
MW311.10 g/mol
LogP4.09
Rot. Bonds4

About 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene

1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene (PubChem CID 68762081) has the molecular formula C11H10BrF3O2 and a molecular weight of 311.10 g/mol. Its IUPAC name is 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene
PubChem CID68762081
Molecular FormulaC11H10BrF3O2
Molecular Weight311.10 g/mol
Exact Mass309.98
IUPAC Name1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cccc(OC(Br)C2CC2)c1
InChIInChI=1S/C11H10BrF3O2/c12-10(7-4-5-7)16-8-2-1-3-9(6-8)17-11(13,14)15/h1-3,6-7,10H,4-5H2
InChIKeyDCTIAMGDSJKIIR-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 54.09
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

(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
2-cyclopropyl-2-methoxy-1-[3-(trifluoromethoxy)phenyl]ethanone
CID 116709170
N-(1-cyclopropylpropyl)-3-(trifluoromethoxy)aniline
CID 64917318
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106
3-[bromo-[3-(trifluoromethoxy)phenyl]methyl]thiolane 1,1-dioxide
CID 107105095
2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
CID 107105253
bis[3-(trifluoromethoxy)phenyl]iodanium
CID 175669102
3-[3-(trifluoromethoxy)phenoxy]-9-azabicyclo[3.3.1]nonane
CID 66840207
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 99850234

Frequently Asked Questions

What is the IUPAC name of 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene?
The IUPAC name of 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene (CID 68762081) is 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene is FC(F)(F)Oc1cccc(OC(Br)C2CC2)c1.
What is the InChIKey of 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene?
The InChIKey is DCTIAMGDSJKIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3O2/c12-10(7-4-5-7)16-8-2-1-3-9(6-8)17-11(13,14)15/h1-3,6-7,10H,4-5H2.
What are the key properties of 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene?
1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene has a molecular weight of 311.10 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo(cyclopropyl)methoxy]-3-(trifluoromethoxy)benzene is sourced from PubChem (CID 68762081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).