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

C15H15F2NO — CID 22261955

IUPAC2-amino-1,3-bis(4-fluorophenyl)propan-1-ol
SMILESNC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c16-12-5-1-10(2-6-12)9-14(18)15(19)11-3-7-13(17)8-4-11/h1-8,14-15,19H,9,18H2
InChIKeyVDTPMNQWZKFCMC-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.57
Rot. Bonds4

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

2-amino-1,3-bis(4-fluorophenyl)propan-1-ol (PubChem CID 22261955) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1,3-bis(4-fluorophenyl)propan-1-ol
PubChem CID22261955
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name2-amino-1,3-bis(4-fluorophenyl)propan-1-ol
SMILESNC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1
InChIInChI=1S/C15H15F2NO/c16-12-5-1-10(2-6-12)9-14(18)15(19)11-3-7-13(17)8-4-11/h1-8,14-15,19H,9,18H2
InChIKeyVDTPMNQWZKFCMC-UHFFFAOYSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol (CID 22261955) is 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol is NC(Cc1ccc(F)cc1)C(O)c1ccc(F)cc1.
What is the InChIKey of 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol?
The InChIKey is VDTPMNQWZKFCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-12-5-1-10(2-6-12)9-14(18)15(19)11-3-7-13(17)8-4-11/h1-8,14-15,19H,9,18H2.
What are the key properties of 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol?
2-amino-1,3-bis(4-fluorophenyl)propan-1-ol has a molecular weight of 263.29 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,3-bis(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 22261955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).