1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol

C11H12ClF3O2 — CID 83953043

IUPAC1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
SMILESCC(C)Oc1ccc(C(O)C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3O2/c1-6(2)17-9-4-3-7(5-8(9)12)10(16)11(13,14)15/h3-6,10,16H,1-2H3
InChIKeyLSOMUWHMEZDEEW-UHFFFAOYSA-N
MW268.66 g/mol
LogP3.72
Rot. Bonds3

About 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol

1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol (PubChem CID 83953043) has the molecular formula C11H12ClF3O2 and a molecular weight of 268.66 g/mol. Its IUPAC name is 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
PubChem CID83953043
Molecular FormulaC11H12ClF3O2
Molecular Weight268.66 g/mol
Exact Mass268.05
IUPAC Name1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
SMILESCC(C)Oc1ccc(C(O)C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3O2/c1-6(2)17-9-4-3-7(5-8(9)12)10(16)11(13,14)15/h3-6,10,16H,1-2H3
InChIKeyLSOMUWHMEZDEEW-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-propan-2-yloxyphenyl)-2-fluoroethanol
CID 105424992
1-(5-chloro-2-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol
CID 83953956
2-chloro-1-propan-2-yloxy-4-(trifluoromethyl)benzene
CID 124704375
2-(3-chloro-4-propan-2-yloxyphenyl)-2-(propan-2-ylamino)ethanol
CID 112513000
2-amino-2-(3-chloro-4-propan-2-yloxyphenyl)acetic acid
CID 82478288
2-chloro-4-propan-2-yl-1-(1,1,1-trifluorobutan-2-yloxy)benzene
CID 171848688
3-chloro-4-propan-2-yloxybenzoic acid
CID 22597728
1-[4-(1,3-benzothiazol-2-yloxy)-3-chlorophenyl]-2,2,2-trifluoroethanol
CID 154645800
4-(3-chloro-4-propan-2-yloxyphenyl)pentan-1-amine
CID 112512686
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
CID 174561684
CID 174561684
(1R,2S)-1-amino-1-[3-chloro-4-(trifluoromethoxy)phenyl]-3-methylbutan-2-ol
CID 171263526

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol (CID 83953043) is 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol is CC(C)Oc1ccc(C(O)C(F)(F)F)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
The InChIKey is LSOMUWHMEZDEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3O2/c1-6(2)17-9-4-3-7(5-8(9)12)10(16)11(13,14)15/h3-6,10,16H,1-2H3.
What are the key properties of 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol?
1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol has a molecular weight of 268.66 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-propan-2-yloxyphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 83953043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).