3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol

C15H13ClF3NO — CID 82772706

IUPAC3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H13ClF3NO/c16-11-6-13(18)9(5-14(11)19)15(21)10(7-20)8-3-1-2-4-12(8)17/h1-6,10,15,21H,7,20H2
InChIKeyZAVQCZOMDAKQCA-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol

3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 82772706) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID82772706
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C15H13ClF3NO/c16-11-6-13(18)9(5-14(11)19)15(21)10(7-20)8-3-1-2-4-12(8)17/h1-6,10,15,21H,7,20H2
InChIKeyZAVQCZOMDAKQCA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185462
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-2-(2-chlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65184409
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-2-(2-chlorophenyl)-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 65184459
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol (CID 82772706) is 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol is NCC(c1ccccc1F)C(O)c1cc(F)c(Cl)cc1F.
What is the InChIKey of 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is ZAVQCZOMDAKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-11-6-13(18)9(5-14(11)19)15(21)10(7-20)8-3-1-2-4-12(8)17/h1-6,10,15,21H,7,20H2.
What are the key properties of 3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)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-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 82772706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).