5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene

C11H12ClF3O — CID 134259779

IUPAC5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCOc1cc(Cl)cc(C(F)(F)F)c1C(C)C
InChIInChI=1S/C11H12ClF3O/c1-6(2)10-8(11(13,14)15)4-7(12)5-9(10)16-3/h4-6H,1-3H3
InChIKeyUUGXHGITXGZKEH-UHFFFAOYSA-N
MW252.66 g/mol
LogP4.49
Rot. Bonds2

About 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene

5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 134259779) has the molecular formula C11H12ClF3O and a molecular weight of 252.66 g/mol. Its IUPAC name is 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID134259779
Molecular FormulaC11H12ClF3O
Molecular Weight252.66 g/mol
Exact Mass252.05
IUPAC Name5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCOc1cc(Cl)cc(C(F)(F)F)c1C(C)C
InChIInChI=1S/C11H12ClF3O/c1-6(2)10-8(11(13,14)15)4-7(12)5-9(10)16-3/h4-6H,1-3H3
InChIKeyUUGXHGITXGZKEH-UHFFFAOYSA-N
XLogP4.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-propan-2-yl-2-(trifluoromethyl)benzene
CID 22952870
2,5-di(propan-2-yl)-1,3-bis(trifluoromethyl)benzene
CID 88933481
1-(4-chloro-2,6-dimethoxyphenyl)ethanamine
CID 130139712
(5-chloro-3-methoxy-2-propan-2-ylphenyl)methanamine
CID 84680067
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
1-[[3-methoxy-4-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 170589044
(1S)-1-[2-methoxy-4,6-bis(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171234263
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
1-chloro-2-fluoro-4-methoxy-5-(trifluoromethyl)benzene
CID 171001576
2-amino-1-(5-chloro-3-methoxy-2-propan-2-ylphenyl)ethanone
CID 84702895
3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)butanal
CID 117390184

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene (CID 134259779) is 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene is COc1cc(Cl)cc(C(F)(F)F)c1C(C)C.
What is the InChIKey of 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is UUGXHGITXGZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O/c1-6(2)10-8(11(13,14)15)4-7(12)5-9(10)16-3/h4-6H,1-3H3.
What are the key properties of 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene?
5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 252.66 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methoxy-2-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 134259779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).