5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene

C10H9BrClF3O — CID 164895327

IUPAC5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
SMILESCC(C)Oc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrClF3O/c1-5(2)16-9-7(10(13,14)15)3-6(11)4-8(9)12/h3-5H,1-2H3
InChIKeyBYVACRWVVLCMMJ-UHFFFAOYSA-N
MW317.53 g/mol
LogP4.91
Rot. Bonds2

About 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene

5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene (PubChem CID 164895327) has the molecular formula C10H9BrClF3O and a molecular weight of 317.53 g/mol. Its IUPAC name is 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
PubChem CID164895327
Molecular FormulaC10H9BrClF3O
Molecular Weight317.53 g/mol
Exact Mass315.95
IUPAC Name5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene
SMILESCC(C)Oc1c(Cl)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H9BrClF3O/c1-5(2)16-9-7(10(13,14)15)3-6(11)4-8(9)12/h3-5H,1-2H3
InChIKeyBYVACRWVVLCMMJ-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221
5-bromo-1-chloro-2-fluoro-3-(trifluoromethyl)benzene
CID 45358382
1,5-dibromo-3-chloro-2-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 164895727
5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862
2-(4-bromo-2,6-dichlorophenoxy)propanenitrile
CID 22688575
7-chloro-6-methyl-2-propan-2-yloxy-4-(trifluoromethyl)quinoline
CID 142046860
1,5-dichloro-3-fluoro-2-propan-2-yloxybenzene
CID 125116033
N'-[[4-[3-chloro-4-propan-2-yloxy-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]-N'-methylethane-1,2-diamine
CID 122180641
3-fluoro-4-propan-2-yloxy-5-(trifluoromethyl)benzaldehyde
CID 163198159
5-bromo-1-chloro-2-methoxy-3-(2,2,2-trifluoroethoxy)benzene
CID 156514394
1-[5-bromo-2-chloro-3-(trifluoromethyl)phenyl]ethanone
CID 121227620
5-bromo-1-chloro-2-methoxy-3-(trifluoromethoxy)benzene
CID 68757966

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene (CID 164895327) is 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene is CC(C)Oc1c(Cl)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
The InChIKey is BYVACRWVVLCMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF3O/c1-5(2)16-9-7(10(13,14)15)3-6(11)4-8(9)12/h3-5H,1-2H3.
What are the key properties of 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene?
5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene has a molecular weight of 317.53 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-chloro-2-propan-2-yloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 164895327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).