8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine

C11H13ClFN — CID 84723595

IUPAC8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
SMILESCC1(F)CCNCc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClFN/c1-11(13)4-5-14-7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyMCIWQYNWPRCOPA-UHFFFAOYSA-N
MW213.68 g/mol
LogP3.02
Rot. Bonds

About 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine

8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine (PubChem CID 84723595) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
PubChem CID84723595
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
SMILESCC1(F)CCNCc2cc(Cl)ccc21
InChIInChI=1S/C11H13ClFN/c1-11(13)4-5-14-7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3
InChIKeyMCIWQYNWPRCOPA-UHFFFAOYSA-N
XLogP3.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-chloro-4,4-difluoro-2,3-dihydro-1H-isoquinoline
CID 84721787
4-(4-chloro-2-fluorophenyl)-4-methylpiperidine
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3-(2,4-dichlorophenyl)-3-methylpyrrolidine
CID 62355170
8-iodo-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 130758404
5-fluoro-6-methoxy-5-methyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84722917
5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepin-9-ol
CID 84720485
7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
CID 84720142
4-chloro-2-fluoro-1-(1-methylcyclohexyl)benzene
CID 175792533
3-(5-chloro-2-methoxyphenyl)-3-fluoropiperidine
CID 83825082
7-chloro-2,2-dimethyl-4,5-dihydro-3H-1,4-benzoxazepine
CID 84621622
4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
CID 67531755
7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
CID 83679545

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
The IUPAC name of 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine (CID 84723595) is 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine.
What is the SMILES notation for 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
The canonical SMILES for 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine is CC1(F)CCNCc2cc(Cl)ccc21.
What is the InChIKey of 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
The InChIKey is MCIWQYNWPRCOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c1-11(13)4-5-14-7-8-6-9(12)2-3-10(8)11/h2-3,6,14H,4-5,7H2,1H3.
What are the key properties of 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine?
8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine has a molecular weight of 213.68 g/mol, XLogP of 3.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-fluoro-5-methyl-1,2,3,4-tetrahydro-2-benzazepine is sourced from PubChem (CID 84723595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).