4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene

C15H18BrF3O2 — CID 170539192

IUPAC4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
SMILESCC(C)C1(Oc2cc(Br)ccc2OC(F)(F)F)CCCC1
InChIInChI=1S/C15H18BrF3O2/c1-10(2)14(7-3-4-8-14)20-13-9-11(16)5-6-12(13)21-15(17,18)19/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyFFUFZLXDMXDHLB-UHFFFAOYSA-N
MW367.21 g/mol
LogP5.70
Rot. Bonds4

About 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene

4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene (PubChem CID 170539192) has the molecular formula C15H18BrF3O2 and a molecular weight of 367.21 g/mol. Its IUPAC name is 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
PubChem CID170539192
Molecular FormulaC15H18BrF3O2
Molecular Weight367.21 g/mol
Exact Mass366.04
IUPAC Name4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
SMILESCC(C)C1(Oc2cc(Br)ccc2OC(F)(F)F)CCCC1
InChIInChI=1S/C15H18BrF3O2/c1-10(2)14(7-3-4-8-14)20-13-9-11(16)5-6-12(13)21-15(17,18)19/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyFFUFZLXDMXDHLB-UHFFFAOYSA-N
XLogP5.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.21
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yl-2-(1-methylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
CID 170539185
4-bromo-1-methyl-2-(trifluoromethoxy)benzene;ethane
CID 143646711
5-bromo-2-(trifluoromethoxy)aniline
CID 2779367
[5-bromo-2-(trifluoromethoxy)phenyl] thiohypochlorite
CID 168963453
1-[4-bromo-2-(trifluoromethoxy)phenyl]-2,5-dimethylpyrrole
CID 103193574
3-(1-propan-2-ylcyclopentyl)oxy-4-(trifluoromethyl)benzoate
CID 170686014
2-[4-bromo-2-(trifluoromethoxy)anilino]-N-propan-2-ylacetamide
CID 103193211
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
1-[(1R)-1-[5-bromo-2-(trifluoromethoxy)phenyl]ethyl]piperazine;hydrochloride
CID 171170877
3-[4-bromo-2-(trifluoromethoxy)anilino]-2-methylpropanamide
CID 103193128
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
CID 171227615

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene?
The IUPAC name of 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene (CID 170539192) is 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene?
The canonical SMILES for 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene is CC(C)C1(Oc2cc(Br)ccc2OC(F)(F)F)CCCC1.
What is the InChIKey of 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene?
The InChIKey is FFUFZLXDMXDHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrF3O2/c1-10(2)14(7-3-4-8-14)20-13-9-11(16)5-6-12(13)21-15(17,18)19/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene?
4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene has a molecular weight of 367.21 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-propan-2-ylcyclopentyl)oxy-1-(trifluoromethoxy)benzene is sourced from PubChem (CID 170539192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).