2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

C14H13ClF3NOS — CID 22261789

IUPAC2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3NOS/c15-12-6-5-11(21-12)13(20)10(19)7-8-1-3-9(4-2-8)14(16,17)18/h1-6,10,13,20H,7,19H2
InChIKeyPSCHOWWPNLCOFM-UHFFFAOYSA-N
MW335.78 g/mol
LogP4.02
Rot. Bonds4

About 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol

2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 22261789) has the molecular formula C14H13ClF3NOS and a molecular weight of 335.78 g/mol. Its IUPAC name is 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID22261789
Molecular FormulaC14H13ClF3NOS
Molecular Weight335.78 g/mol
Exact Mass335.04
IUPAC Name2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESNC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)s1
InChIInChI=1S/C14H13ClF3NOS/c15-12-6-5-11(21-12)13(20)10(19)7-8-1-3-9(4-2-8)14(16,17)18/h1-6,10,13,20H,7,19H2
InChIKeyPSCHOWWPNLCOFM-UHFFFAOYSA-N
XLogP4.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 22261789) is 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol is NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Cl)s1.
What is the InChIKey of 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is PSCHOWWPNLCOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3NOS/c15-12-6-5-11(21-12)13(20)10(19)7-8-1-3-9(4-2-8)14(16,17)18/h1-6,10,13,20H,7,19H2.
What are the key properties of 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol?
2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 335.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-chlorothiophen-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 22261789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).