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

C15H13ClF3NO — CID 82876956

IUPAC3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-12-5-8(1-4-13(12)18)15(21)11(7-20)10-3-2-9(17)6-14(10)19/h1-6,11,15,21H,7,20H2
InChIKeyPKXTXUXKVPTEIG-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.53
Rot. Bonds4

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

3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol (PubChem CID 82876956) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
PubChem CID82876956
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
SMILESNCC(c1ccc(F)cc1F)C(O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C15H13ClF3NO/c16-12-5-8(1-4-13(12)18)15(21)11(7-20)10-3-2-9(17)6-14(10)19/h1-6,11,15,21H,7,20H2
InChIKeyPKXTXUXKVPTEIG-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-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-2-(2,4-difluorophenyl)-1-(4-fluoro-3-methylphenyl)propan-1-ol
CID 65189770
3-amino-1-(3-chloro-4-fluorophenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 82876687
3-amino-1-(3,5-dibromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 107981149
3-amino-1-(3-bromophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189194
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(2-chlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65184409
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-2-(3-chlorophenyl)-1-(2,4-difluorophenyl)propan-1-ol
CID 65186275
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(3-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 82876372

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol (CID 82876956) is 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol is NCC(c1ccc(F)cc1F)C(O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
The InChIKey is PKXTXUXKVPTEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-5-8(1-4-13(12)18)15(21)11(7-20)10-3-2-9(17)6-14(10)19/h1-6,11,15,21H,7,20H2.
What are the key properties of 3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol?
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-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-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol is sourced from PubChem (CID 82876956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).