(5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol

C10H10ClF2NO — CID 137373467

IUPAC(5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol
SMILESO[C@@H]1c2cc(Cl)ccc2NCCC1(F)F
InChIInChI=1S/C10H10ClF2NO/c11-6-1-2-8-7(5-6)9(15)10(12,13)3-4-14-8/h1-2,5,9,14-15H,3-4H2/t9-/m1/s1
InChIKeyVTBSAHLZPATLJC-SECBINFHSA-N
MW233.64 g/mol
LogP2.82
Rot. Bonds

About (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol

(5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 137373467) has the molecular formula C10H10ClF2NO and a molecular weight of 233.64 g/mol. Its IUPAC name is (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name(5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol
PubChem CID137373467
Molecular FormulaC10H10ClF2NO
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC Name(5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol
SMILESO[C@@H]1c2cc(Cl)ccc2NCCC1(F)F
InChIInChI=1S/C10H10ClF2NO/c11-6-1-2-8-7(5-6)9(15)10(12,13)3-4-14-8/h1-2,5,9,14-15H,3-4H2/t9-/m1/s1
InChIKeyVTBSAHLZPATLJC-SECBINFHSA-N
XLogP2.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol (CID 137373467) is (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol is O[C@@H]1c2cc(Cl)ccc2NCCC1(F)F.
What is the InChIKey of (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is VTBSAHLZPATLJC-SECBINFHSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c11-6-1-2-8-7(5-6)9(15)10(12,13)3-4-14-8/h1-2,5,9,14-15H,3-4H2/t9-/m1/s1.
What are the key properties of (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol?
(5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 233.64 g/mol, XLogP of 2.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-chloro-4,4-difluoro-1,2,3,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 137373467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).