3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol

C13H13ClFNO2 — CID 65188011

IUPAC3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1ccoc1
InChIInChI=1S/C13H13ClFNO2/c14-12-5-9(15)1-2-10(12)11(6-16)13(17)8-3-4-18-7-8/h1-5,7,11,13,17H,6,16H2
InChIKeyQNRRCUOLVFBUOF-UHFFFAOYSA-N
MW269.70 g/mol
LogP2.85
Rot. Bonds4

About 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol

3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol (PubChem CID 65188011) has the molecular formula C13H13ClFNO2 and a molecular weight of 269.70 g/mol. Its IUPAC name is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
PubChem CID65188011
Molecular FormulaC13H13ClFNO2
Molecular Weight269.70 g/mol
Exact Mass269.06
IUPAC Name3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
SMILESNCC(c1ccc(F)cc1Cl)C(O)c1ccoc1
InChIInChI=1S/C13H13ClFNO2/c14-12-5-9(15)1-2-10(12)11(6-16)13(17)8-3-4-18-7-8/h1-5,7,11,13,17H,6,16H2
InChIKeyQNRRCUOLVFBUOF-UHFFFAOYSA-N
XLogP2.85
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.70
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(2-chloro-4-fluorophenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65188322
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
3-amino-2-(2-chloro-4-fluorophenyl)-1-(3,5-dibromophenyl)propan-1-ol
CID 107981145
3-amino-1-(3-bromo-5-fluorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65189681
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,4-dichlorophenyl)propan-1-ol
CID 65188062
3-amino-1-(4-bromo-2-chlorophenyl)-2-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65187535
3-amino-2-(2-chloro-4-fluorophenyl)-1-(2,6-difluorophenyl)propan-1-ol
CID 65189585
3-amino-1-(2-chloro-4-fluorophenyl)-2-phenylpropan-1-ol
CID 65186297
3-amino-1-(4-chlorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 65189574
3-amino-1-(3-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)propan-1-ol
CID 82876956
3-amino-2-(4-bromophenyl)-1-(2-chloro-4-fluorophenyl)propan-1-ol
CID 65186256
3-amino-2-(2-chloro-4-fluorophenyl)-1-(5-methylthiophen-2-yl)propan-1-ol
CID 65189446

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol (CID 65188011) is 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol is NCC(c1ccc(F)cc1Cl)C(O)c1ccoc1.
What is the InChIKey of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
The InChIKey is QNRRCUOLVFBUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFNO2/c14-12-5-9(15)1-2-10(12)11(6-16)13(17)8-3-4-18-7-8/h1-5,7,11,13,17H,6,16H2.
What are the key properties of 3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol?
3-amino-2-(2-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol has a molecular weight of 269.70 g/mol, XLogP of 2.85, 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-chloro-4-fluorophenyl)-1-(furan-3-yl)propan-1-ol is sourced from PubChem (CID 65188011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).