2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol

C18H17Cl2F3O — CID 170770350

IUPAC2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol
SMILESCCCC(O)(c1ccc(-c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F
InChIInChI=1S/C18H17Cl2F3O/c1-3-8-17(24,18(21,22)23)12-4-6-14(11(2)9-12)15-7-5-13(19)10-16(15)20/h4-7,9-10,24H,3,8H2,1-2H3
InChIKeyHCHYXRJTMDDGRN-UHFFFAOYSA-N
MW377.23 g/mol
LogP6.52
Rot. Bonds4

About 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol

2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol (PubChem CID 170770350) has the molecular formula C18H17Cl2F3O and a molecular weight of 377.23 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol
PubChem CID170770350
Molecular FormulaC18H17Cl2F3O
Molecular Weight377.23 g/mol
Exact Mass376.06
IUPAC Name2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol
SMILESCCCC(O)(c1ccc(-c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F
InChIInChI=1S/C18H17Cl2F3O/c1-3-8-17(24,18(21,22)23)12-4-6-14(11(2)9-12)15-7-5-13(19)10-16(15)20/h4-7,9-10,24H,3,8H2,1-2H3
InChIKeyHCHYXRJTMDDGRN-UHFFFAOYSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.23
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol (CID 170770350) is 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol is CCCC(O)(c1ccc(-c2ccc(Cl)cc2Cl)c(C)c1)C(F)(F)F.
What is the InChIKey of 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol?
The InChIKey is HCHYXRJTMDDGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3O/c1-3-8-17(24,18(21,22)23)12-4-6-14(11(2)9-12)15-7-5-13(19)10-16(15)20/h4-7,9-10,24H,3,8H2,1-2H3.
What are the key properties of 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol?
2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol has a molecular weight of 377.23 g/mol, XLogP of 6.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenyl)-3-methylphenyl]-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 170770350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).