3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol

C13H11Cl2F2NOS — CID 107966850

IUPAC3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11Cl2F2NOS/c14-11-4-9(13(15)20-11)12(19)10(5-18)6-1-7(16)3-8(17)2-6/h1-4,10,12,19H,5,18H2
InChIKeyANMZUIOKTWOKBO-UHFFFAOYSA-N
MW338.21 g/mol
LogP4.11
Rot. Bonds4

About 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol

3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol (PubChem CID 107966850) has the molecular formula C13H11Cl2F2NOS and a molecular weight of 338.21 g/mol. Its IUPAC name is 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
PubChem CID107966850
Molecular FormulaC13H11Cl2F2NOS
Molecular Weight338.21 g/mol
Exact Mass336.99
IUPAC Name3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1cc(F)cc(F)c1)C(O)c1cc(Cl)sc1Cl
InChIInChI=1S/C13H11Cl2F2NOS/c14-11-4-9(13(15)20-11)12(19)10(5-18)6-1-7(16)3-8(17)2-6/h1-4,10,12,19H,5,18H2
InChIKeyANMZUIOKTWOKBO-UHFFFAOYSA-N
XLogP4.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(2,4-dichlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189329
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-thiophen-2-ylpropan-1-ol
CID 107966805
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 61080476
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 81116828
1-(2,5-dichlorothiophen-3-yl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 43486794
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-2-(3,5-difluorophenyl)-1-(furan-2-yl)propan-1-ol
CID 65189521
3-amino-2-(3,5-difluorophenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 65189569

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol (CID 107966850) is 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol is NCC(c1cc(F)cc(F)c1)C(O)c1cc(Cl)sc1Cl.
What is the InChIKey of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is ANMZUIOKTWOKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2F2NOS/c14-11-4-9(13(15)20-11)12(19)10(5-18)6-1-7(16)3-8(17)2-6/h1-4,10,12,19H,5,18H2.
What are the key properties of 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol?
3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol has a molecular weight of 338.21 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,5-dichlorothiophen-3-yl)-2-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 107966850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).