7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol

C12H14ClF2NO2 — CID 137373512

IUPAC7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol
SMILESCC(O)C1(O)c2cc(Cl)ccc2NCCC1(F)F
InChIInChI=1S/C12H14ClF2NO2/c1-7(17)12(18)9-6-8(13)2-3-10(9)16-5-4-11(12,14)15/h2-3,6-7,16-18H,4-5H2,1H3
InChIKeyTZKXZNJRURLTPH-UHFFFAOYSA-N
MW277.70 g/mol
LogP2.36
Rot. Bonds1

About 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol

7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol (PubChem CID 137373512) has the molecular formula C12H14ClF2NO2 and a molecular weight of 277.70 g/mol. Its IUPAC name is 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol.

Molecular Properties

Compound Name7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol
PubChem CID137373512
Molecular FormulaC12H14ClF2NO2
Molecular Weight277.70 g/mol
Exact Mass277.07
IUPAC Name7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol
SMILESCC(O)C1(O)c2cc(Cl)ccc2NCCC1(F)F
InChIInChI=1S/C12H14ClF2NO2/c1-7(17)12(18)9-6-8(13)2-3-10(9)16-5-4-11(12,14)15/h2-3,6-7,16-18H,4-5H2,1H3
InChIKeyTZKXZNJRURLTPH-UHFFFAOYSA-N
XLogP2.36
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.70
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol?
The IUPAC name of 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol (CID 137373512) is 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol.
What is the SMILES notation for 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol?
The canonical SMILES for 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol is CC(O)C1(O)c2cc(Cl)ccc2NCCC1(F)F.
What is the InChIKey of 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol?
The InChIKey is TZKXZNJRURLTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO2/c1-7(17)12(18)9-6-8(13)2-3-10(9)16-5-4-11(12,14)15/h2-3,6-7,16-18H,4-5H2,1H3.
What are the key properties of 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol?
7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol has a molecular weight of 277.70 g/mol, XLogP of 2.36, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,4-difluoro-5-(1-hydroxyethyl)-2,3-dihydro-1H-1-benzazepin-5-ol is sourced from PubChem (CID 137373512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).