2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol

C12H13Cl2F3O2 — CID 83959054

IUPAC2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C12H13Cl2F3O2/c1-3-4-19-10-8(5-7(13)6-9(10)14)11(2,18)12(15,16)17/h5-6,18H,3-4H2,1-2H3
InChIKeyBTWXJJCQWMXZPG-UHFFFAOYSA-N
MW317.13 g/mol
LogP4.55
Rot. Bonds4

About 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol

2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83959054) has the molecular formula C12H13Cl2F3O2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID83959054
Molecular FormulaC12H13Cl2F3O2
Molecular Weight317.13 g/mol
Exact Mass316.02
IUPAC Name2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCCOc1c(Cl)cc(Cl)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C12H13Cl2F3O2/c1-3-4-19-10-8(5-7(13)6-9(10)14)11(2,18)12(15,16)17/h5-6,18H,3-4H2,1-2H3
InChIKeyBTWXJJCQWMXZPG-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959034
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959162
2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
CID 83958778
3,5-dichloro-2-propoxyphenol
CID 82267104
1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
CID 146247201
1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
CID 83949980
1,5-dichloro-3-ethoxy-2-propoxybenzene
CID 125116590
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
1-(3,5-dichloro-2-propoxyphenyl)ethanamine
CID 82267105

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol (CID 83959054) is 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol is CCCOc1c(Cl)cc(Cl)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is BTWXJJCQWMXZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2F3O2/c1-3-4-19-10-8(5-7(13)6-9(10)14)11(2,18)12(15,16)17/h5-6,18H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 317.13 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83959054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).