(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol

C14H14FNO2 — CID 118712894

IUPAC(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SMILESO[C@@H]1Cc2cc(F)ccc2N[C@H](c2ccoc2)C1
InChIInChI=1S/C14H14FNO2/c15-11-1-2-13-10(5-11)6-12(17)7-14(16-13)9-3-4-18-8-9/h1-5,8,12,14,16-17H,6-7H2/t12-,14+/m1/s1
InChIKeyOVMIAXKCNFYLEN-OCCSQVGLSA-N
MW247.27 g/mol
LogP2.88
Rot. Bonds1

About (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol

(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (PubChem CID 118712894) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol.

Molecular Properties

Compound Name(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
PubChem CID118712894
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol
SMILESO[C@@H]1Cc2cc(F)ccc2N[C@H](c2ccoc2)C1
InChIInChI=1S/C14H14FNO2/c15-11-1-2-13-10(5-11)6-12(17)7-14(16-13)9-3-4-18-8-9/h1-5,8,12,14,16-17H,6-7H2/t12-,14+/m1/s1
InChIKeyOVMIAXKCNFYLEN-OCCSQVGLSA-N
XLogP2.88
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 118712892
CID 118712895
CID 118712895
CID 118712873
CID 118712873
CID 145983918
CID 145983918
CID 137388912
CID 137388912
CID 13555331
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CID 129882216
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CID 134860992
CID 134860992

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The IUPAC name of (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol (CID 118712894) is (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol.
What is the SMILES notation for (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The canonical SMILES for (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol is O[C@@H]1Cc2cc(F)ccc2N[C@H](c2ccoc2)C1.
What is the InChIKey of (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
The InChIKey is OVMIAXKCNFYLEN-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-1-2-13-10(5-11)6-12(17)7-14(16-13)9-3-4-18-8-9/h1-5,8,12,14,16-17H,6-7H2/t12-,14+/m1/s1.
What are the key properties of (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol?
(2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol has a molecular weight of 247.27 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-7-fluoro-2-(furan-3-yl)-2,3,4,5-tetrahydro-1H-1-benzazepin-4-ol is sourced from PubChem (CID 118712894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).