3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol

C15H17ClFNOS — CID 65186187

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2c(F)cccc2Cl)s1
InChIInChI=1S/C15H17ClFNOS/c1-2-9-6-7-13(20-9)15(19)10(8-18)14-11(16)4-3-5-12(14)17/h3-7,10,15,19H,2,8,18H2,1H3
InChIKeyRPYFXQPQNQYEHZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.88
Rot. Bonds5

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol (PubChem CID 65186187) has the molecular formula C15H17ClFNOS and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
PubChem CID65186187
Molecular FormulaC15H17ClFNOS
Molecular Weight313.83 g/mol
Exact Mass313.07
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2c(F)cccc2Cl)s1
InChIInChI=1S/C15H17ClFNOS/c1-2-9-6-7-13(20-9)15(19)10(8-18)14-11(16)4-3-5-12(14)17/h3-7,10,15,19H,2,8,18H2,1H3
InChIKeyRPYFXQPQNQYEHZ-UHFFFAOYSA-N
XLogP3.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol (CID 65186187) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol is CCc1ccc(C(O)C(CN)c2c(F)cccc2Cl)s1.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
The InChIKey is RPYFXQPQNQYEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFNOS/c1-2-9-6-7-13(20-9)15(19)10(8-18)14-11(16)4-3-5-12(14)17/h3-7,10,15,19H,2,8,18H2,1H3.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol has a molecular weight of 313.83 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-ethylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 65186187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).