3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol

C19H14ClF4NO — CID 25254142

IUPAC3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol
SMILESCC(c1ccc(F)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C19H14ClF4NO/c1-11(15-7-6-14(21)9-16(15)20)18(26,19(22,23)24)13-8-12-4-2-3-5-17(12)25-10-13/h2-11,26H,1H3
InChIKeyKVUAHXOEPFQBKH-UHFFFAOYSA-N
MW383.77 g/mol
LogP5.58
Rot. Bonds3

About 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol

3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol (PubChem CID 25254142) has the molecular formula C19H14ClF4NO and a molecular weight of 383.77 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol
PubChem CID25254142
Molecular FormulaC19H14ClF4NO
Molecular Weight383.77 g/mol
Exact Mass383.07
IUPAC Name3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol
SMILESCC(c1ccc(F)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F
InChIInChI=1S/C19H14ClF4NO/c1-11(15-7-6-14(21)9-16(15)20)18(26,19(22,23)24)13-8-12-4-2-3-5-17(12)25-10-13/h2-11,26H,1H3
InChIKeyKVUAHXOEPFQBKH-UHFFFAOYSA-N
XLogP5.58
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.77
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol?
The IUPAC name of 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol (CID 25254142) is 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol.
What is the SMILES notation for 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol?
The canonical SMILES for 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol is CC(c1ccc(F)cc1Cl)C(O)(c1cnc2ccccc2c1)C(F)(F)F.
What is the InChIKey of 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol?
The InChIKey is KVUAHXOEPFQBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF4NO/c1-11(15-7-6-14(21)9-16(15)20)18(26,19(22,23)24)13-8-12-4-2-3-5-17(12)25-10-13/h2-11,26H,1H3.
What are the key properties of 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol?
3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol has a molecular weight of 383.77 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenyl)-1,1,1-trifluoro-2-quinolin-3-ylbutan-2-ol is sourced from PubChem (CID 25254142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).