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

C12H16FN — CID 84720142

IUPAC7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
SMILESCC1(C)CCNCc2ccc(F)cc21
InChIInChI=1S/C12H16FN/c1-12(2)5-6-14-8-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyLLWDSXHIMOKXKU-UHFFFAOYSA-N
MW193.26 g/mol
LogP2.60
Rot. Bonds

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

7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine (PubChem CID 84720142) has the molecular formula C12H16FN and a molecular weight of 193.26 g/mol. Its IUPAC name is 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
PubChem CID84720142
Molecular FormulaC12H16FN
Molecular Weight193.26 g/mol
Exact Mass193.13
IUPAC Name7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine
SMILESCC1(C)CCNCc2ccc(F)cc21
InChIInChI=1S/C12H16FN/c1-12(2)5-6-14-8-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3
InChIKeyLLWDSXHIMOKXKU-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.26
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine?
The IUPAC name of 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine (CID 84720142) is 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine.
What is the SMILES notation for 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine?
The canonical SMILES for 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine is CC1(C)CCNCc2ccc(F)cc21.
What is the InChIKey of 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine?
The InChIKey is LLWDSXHIMOKXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN/c1-12(2)5-6-14-8-9-3-4-10(13)7-11(9)12/h3-4,7,14H,5-6,8H2,1-2H3.
What are the key properties of 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine?
7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine has a molecular weight of 193.26 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5,5-dimethyl-1,2,3,4-tetrahydro-2-benzazepine is sourced from PubChem (CID 84720142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).