1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene

C10H9Br2F3O — CID 119025050

IUPAC1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(CCCBr)ccc1Br
InChIInChI=1S/C10H9Br2F3O/c11-5-1-2-7-3-4-8(12)9(6-7)16-10(13,14)15/h3-4,6H,1-2,5H2
InChIKeyRPZQSKXNAYMUNN-UHFFFAOYSA-N
MW361.98 g/mol
LogP4.68
Rot. Bonds4

About 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene

1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene (PubChem CID 119025050) has the molecular formula C10H9Br2F3O and a molecular weight of 361.98 g/mol. Its IUPAC name is 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
PubChem CID119025050
Molecular FormulaC10H9Br2F3O
Molecular Weight361.98 g/mol
Exact Mass359.90
IUPAC Name1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene
SMILESFC(F)(F)Oc1cc(CCCBr)ccc1Br
InChIInChI=1S/C10H9Br2F3O/c11-5-1-2-7-3-4-8(12)9(6-7)16-10(13,14)15/h3-4,6H,1-2,5H2
InChIKeyRPZQSKXNAYMUNN-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.98
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(3-bromopropyl)-4-(trifluoromethoxy)benzene
CID 118800457
1-bromo-4-(3-bromopropyl)-2-(fluoromethyl)benzene
CID 119024034
3-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-1-amine
CID 170878567
2-bromo-4-(3-bromopropyl)-1-(fluoromethoxy)benzene
CID 118802283
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
4-(3-chloropropyl)-1-fluoro-2-(trifluoromethoxy)benzene
CID 118818887
3-[3-bromo-4-(trifluoromethoxy)phenyl]propanal
CID 134621760
1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 134619284
1-bromo-3-(3-bromopropyl)-2-(trifluoromethoxy)benzene
CID 119022374
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
4-(3-bromopropyl)-2-methoxy-1-methylbenzene
CID 18626504
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene (CID 119025050) is 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene is FC(F)(F)Oc1cc(CCCBr)ccc1Br.
What is the InChIKey of 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene?
The InChIKey is RPZQSKXNAYMUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2F3O/c11-5-1-2-7-3-4-8(12)9(6-7)16-10(13,14)15/h3-4,6H,1-2,5H2.
What are the key properties of 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene?
1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene has a molecular weight of 361.98 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(3-bromopropyl)-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 119025050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).