2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol

C13H17F2NO — CID 158440878

IUPAC2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol
SMILESOCC(F)(F)CCc1ccc2c(n1)CCCC2
InChIInChI=1S/C13H17F2NO/c14-13(15,9-17)8-7-11-6-5-10-3-1-2-4-12(10)16-11/h5-6,17H,1-4,7-9H2
InChIKeyKKRCZYNQATVBFL-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.52
Rot. Bonds4

About 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol

2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol (PubChem CID 158440878) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol
PubChem CID158440878
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol
SMILESOCC(F)(F)CCc1ccc2c(n1)CCCC2
InChIInChI=1S/C13H17F2NO/c14-13(15,9-17)8-7-11-6-5-10-3-1-2-4-12(10)16-11/h5-6,17H,1-4,7-9H2
InChIKeyKKRCZYNQATVBFL-UHFFFAOYSA-N
XLogP2.52
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol?
The IUPAC name of 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol (CID 158440878) is 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol.
What is the SMILES notation for 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol?
The canonical SMILES for 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol is OCC(F)(F)CCc1ccc2c(n1)CCCC2.
What is the InChIKey of 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol?
The InChIKey is KKRCZYNQATVBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c14-13(15,9-17)8-7-11-6-5-10-3-1-2-4-12(10)16-11/h5-6,17H,1-4,7-9H2.
What are the key properties of 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol?
2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol has a molecular weight of 241.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-(5,6,7,8-tetrahydroquinolin-2-yl)butan-1-ol is sourced from PubChem (CID 158440878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).