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

C15H15F2NO — CID 20642702

IUPAC3-amino-1,1-bis(3-fluorophenyl)propan-1-ol
SMILESNCCC(O)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H15F2NO/c16-13-5-1-3-11(9-13)15(19,7-8-18)12-4-2-6-14(17)10-12/h1-6,9-10,19H,7-8,18H2
InChIKeyBJGRCZRHDYWVSY-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.55
Rot. Bonds4

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

3-amino-1,1-bis(3-fluorophenyl)propan-1-ol (PubChem CID 20642702) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1,1-bis(3-fluorophenyl)propan-1-ol
PubChem CID20642702
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Name3-amino-1,1-bis(3-fluorophenyl)propan-1-ol
SMILESNCCC(O)(c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C15H15F2NO/c16-13-5-1-3-11(9-13)15(19,7-8-18)12-4-2-6-14(17)10-12/h1-6,9-10,19H,7-8,18H2
InChIKeyBJGRCZRHDYWVSY-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol (CID 20642702) is 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol is NCCC(O)(c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol?
The InChIKey is BJGRCZRHDYWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-5-1-3-11(9-13)15(19,7-8-18)12-4-2-6-14(17)10-12/h1-6,9-10,19H,7-8,18H2.
What are the key properties of 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol?
3-amino-1,1-bis(3-fluorophenyl)propan-1-ol has a molecular weight of 263.29 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1-bis(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 20642702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).