3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol

C15H13ClF3NO — CID 65186627

IUPAC3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13ClF3NO/c16-12-2-1-3-13(19)14(12)11(7-20)15(21)8-4-9(17)6-10(18)5-8/h1-6,11,15,21H,7,20H2
InChIKeyLSJKPWIGTLNNNH-UHFFFAOYSA-N
MW315.72 g/mol
LogP3.53
Rot. Bonds4

About 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol

3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol (PubChem CID 65186627) has the molecular formula C15H13ClF3NO and a molecular weight of 315.72 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
PubChem CID65186627
Molecular FormulaC15H13ClF3NO
Molecular Weight315.72 g/mol
Exact Mass315.06
IUPAC Name3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol
SMILESNCC(c1c(F)cccc1Cl)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C15H13ClF3NO/c16-12-2-1-3-13(19)14(12)11(7-20)15(21)8-4-9(17)6-10(18)5-8/h1-6,11,15,21H,7,20H2
InChIKeyLSJKPWIGTLNNNH-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-6-fluorophenyl)-1-(2,5-dichlorophenyl)propan-1-ol
CID 65186380
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,3-dichlorophenyl)propan-1-ol
CID 65186723
3-amino-1-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 65186472
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2-methylphenyl)propan-1-ol
CID 65186435
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
3-amino-2-(2-chloro-6-fluorophenyl)-1-(5-chloro-2-methylphenyl)propan-1-ol
CID 82874545
3-amino-1-(5-bromo-2-chlorophenyl)-2-(2-chloro-6-fluorophenyl)propan-1-ol
CID 65186668
3-amino-2-(2-chloro-6-fluorophenyl)-1-(2,4-dimethylphenyl)propan-1-ol
CID 65185998
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol (CID 65186627) is 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol is NCC(c1c(F)cccc1Cl)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?
The InChIKey is LSJKPWIGTLNNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF3NO/c16-12-2-1-3-13(19)14(12)11(7-20)15(21)8-4-9(17)6-10(18)5-8/h1-6,11,15,21H,7,20H2.
What are the key properties of 3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol?
3-amino-2-(2-chloro-6-fluorophenyl)-1-(3,5-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-6-fluorophenyl)-1-(3,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 65186627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).