7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine

C12H15ClFN — CID 68583158

IUPAC7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC1CN(C)CCc2ccc(Cl)c(F)c21
InChIInChI=1S/C12H15ClFN/c1-8-7-15(2)6-5-9-3-4-10(13)12(14)11(8)9/h3-4,8H,5-7H2,1-2H3
InChIKeyUYBYXTXDBNXELZ-UHFFFAOYSA-N
MW227.71 g/mol
LogP3.07
Rot. Bonds

About 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine

7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 68583158) has the molecular formula C12H15ClFN and a molecular weight of 227.71 g/mol. Its IUPAC name is 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID68583158
Molecular FormulaC12H15ClFN
Molecular Weight227.71 g/mol
Exact Mass227.09
IUPAC Name7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC1CN(C)CCc2ccc(Cl)c(F)c21
InChIInChI=1S/C12H15ClFN/c1-8-7-15(2)6-5-9-3-4-10(13)12(14)11(8)9/h3-4,8H,5-7H2,1-2H3
InChIKeyUYBYXTXDBNXELZ-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 71541098
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CID 9990808
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CID 9991444
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CID 10465263
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CID 11160564
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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine (CID 68583158) is 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine is CC1CN(C)CCc2ccc(Cl)c(F)c21.
What is the InChIKey of 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is UYBYXTXDBNXELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFN/c1-8-7-15(2)6-5-9-3-4-10(13)12(14)11(8)9/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine?
7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 227.71 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-3,5-dimethyl-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 68583158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).