3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol

C13H14FNO2 — CID 65185309

IUPAC3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1ccco1
InChIInChI=1S/C13H14FNO2/c14-11-5-2-1-4-9(11)10(8-15)13(16)12-6-3-7-17-12/h1-7,10,13,16H,8,15H2
InChIKeyDQWFUFZKBPBRRT-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.19
Rot. Bonds4

About 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol

3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol (PubChem CID 65185309) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol
PubChem CID65185309
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol
SMILESNCC(c1ccccc1F)C(O)c1ccco1
InChIInChI=1S/C13H14FNO2/c14-11-5-2-1-4-9(11)10(8-15)13(16)12-6-3-7-17-12/h1-7,10,13,16H,8,15H2
InChIKeyDQWFUFZKBPBRRT-UHFFFAOYSA-N
XLogP2.19
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol (CID 65185309) is 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol is NCC(c1ccccc1F)C(O)c1ccco1.
What is the InChIKey of 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol?
The InChIKey is DQWFUFZKBPBRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-11-5-2-1-4-9(11)10(8-15)13(16)12-6-3-7-17-12/h1-7,10,13,16H,8,15H2.
What are the key properties of 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol?
3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol has a molecular weight of 235.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-fluorophenyl)-1-(furan-2-yl)propan-1-ol is sourced from PubChem (CID 65185309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).