1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene

C10H8Br2ClF3O — CID 164895727

IUPAC1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
SMILESCC(C)Oc1c(Br)cc(Br)c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H8Br2ClF3O/c1-4(2)17-9-6(12)3-5(11)7(8(9)13)10(14,15)16/h3-4H,1-2H3
InChIKeyWTIOYLHDEFLTMQ-UHFFFAOYSA-N
MW396.43 g/mol
LogP5.67
Rot. Bonds2

About 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene

1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene (PubChem CID 164895727) has the molecular formula C10H8Br2ClF3O and a molecular weight of 396.43 g/mol. Its IUPAC name is 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
PubChem CID164895727
Molecular FormulaC10H8Br2ClF3O
Molecular Weight396.43 g/mol
Exact Mass393.86
IUPAC Name1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
SMILESCC(C)Oc1c(Br)cc(Br)c(C(F)(F)F)c1Cl
InChIInChI=1S/C10H8Br2ClF3O/c1-4(2)17-9-6(12)3-5(11)7(8(9)13)10(14,15)16/h3-4H,1-2H3
InChIKeyWTIOYLHDEFLTMQ-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.43
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
CID 164895327
1,5-dibromo-2,3,4-tris(trifluoromethyl)benzene
CID 162536983
3,5-dibromo-4-propan-2-yloxybenzoic acid
CID 67041563
1-bromo-2,5-dichloro-4-propan-2-yloxybenzene
CID 97057561
(3,5-dibromo-4-propan-2-yloxyphenyl)methanamine
CID 107741402
1-[3-chloro-2,5-dimethoxy-4-(trifluoromethyl)phenyl]propan-2-amine
CID 169028870
(3-bromo-5-fluoro-2-propan-2-yloxyphenyl)-dimethylborane
CID 58436927
1-bromo-2-chloro-3-fluoro-4-propan-2-yloxybenzene
CID 164894461
1-bromo-4,5-difluoro-3-methyl-2-(trifluoromethyl)benzene
CID 170917204
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
4-bromo-2-chloro-6-(difluoromethyl)-3-(trifluoromethyl)pyridine
CID 118806264
2,4-dichloro-6-fluoro-3-propan-2-yloxyaniline
CID 86152824

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene?
The IUPAC name of 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene (CID 164895727) is 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene?
The canonical SMILES for 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene is CC(C)Oc1c(Br)cc(Br)c(C(F)(F)F)c1Cl.
What is the InChIKey of 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene?
The InChIKey is WTIOYLHDEFLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Br2ClF3O/c1-4(2)17-9-6(12)3-5(11)7(8(9)13)10(14,15)16/h3-4H,1-2H3.
What are the key properties of 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene?
1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene has a molecular weight of 396.43 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene is sourced from PubChem (CID 164895727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).