3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol

C15H13ClF3NO — CID 65189585

IUPAC3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1c(F)cccc1F
InChIInChI=1S/C15H13ClF3NO/c16-11-6-8(17)4-5-9(11)10(7-20)15(21)14-12(18)2-1-3-13(14)19/h1-6,10,15,21H,7,20H2
InChIKeySZPJEHCMFVWUEK-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol

3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol (PubChem CID 65189585) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
PubChem CID65189585
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1c(F)cccc1F
InChIInChI=1S/C15H13ClF3NO/c16-11-6-8(17)4-5-9(11)10(7-20)15(21)14-12(18)2-1-3-13(14)19/h1-6,10,15,21H,7,20H2
InChIKeySZPJEHCMFVWUEK-UHFFFAOYSA-N
XLogP3.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.72
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65188011
3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65189446
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
CID 65186627

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol (CID 65189585) is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1Cl)C(O)c1c(F)cccc1F.
What is the InChIKey of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
The InChIKey is SZPJEHCMFVWUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-6-8(17)4-5-9(11)10(7-20)15(21)14-12(18)2-1-3-13(14)19/h1-6,10,15,21H,7,20H2.
What are the key properties of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol?
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol has a molecular weight of 315.72 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65189585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).