7-fluoro-6-propan-2-yl-4H-azepine

C9H12FN — CID 129194067

IUPAC7-fluoro-6-propan-2-yl-4H-azepine
SMILESCC(C)C1=CCC=CN=C1F
InChIInChI=1S/C9H12FN/c1-7(2)8-5-3-4-6-11-9(8)10/h4-7H,3H2,1-2H3
InChIKeyMBCURWJPEXHUKI-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.85
Rot. Bonds1

About 7-fluoro-6-propan-2-yl-4H-azepine

7-fluoro-6-propan-2-yl-4H-azepine (PubChem CID 129194067) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 7-fluoro-6-propan-2-yl-4H-azepine.

Molecular Properties

Compound Name7-fluoro-6-propan-2-yl-4H-azepine
PubChem CID129194067
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name7-fluoro-6-propan-2-yl-4H-azepine
SMILESCC(C)C1=CCC=CN=C1F
InChIInChI=1S/C9H12FN/c1-7(2)8-5-3-4-6-11-9(8)10/h4-7H,3H2,1-2H3
InChIKeyMBCURWJPEXHUKI-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-6-methyl-4H-azepine
CID 142010072
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
6-methyl-7-(trifluoromethyl)-4H-azepine
CID 147512449
(E)-N-ethenyl-6-fluoro-2,5-dimethylhex-4-en-3-imine
CID 155204692
3-fluoro-6-propan-2-yl-4H-azepine
CID 167012471
4,5-dimethyl-6-propan-2-yl-4H-azepine
CID 123169431
4,6-dimethyl-4H-azepine
CID 123367883
(Z)-N-ethenyl-2-propan-2-ylbut-2-en-1-imine
CID 126522127
6-ethyl-4H-azepine
CID 129215838
(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
CID 131969535
3-methyl-2-propan-2-yl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 139503767
ethane;6-methyl-4H-azepine
CID 141827110

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-propan-2-yl-4H-azepine?
The IUPAC name of 7-fluoro-6-propan-2-yl-4H-azepine (CID 129194067) is 7-fluoro-6-propan-2-yl-4H-azepine.
What is the SMILES notation for 7-fluoro-6-propan-2-yl-4H-azepine?
The canonical SMILES for 7-fluoro-6-propan-2-yl-4H-azepine is CC(C)C1=CCC=CN=C1F.
What is the InChIKey of 7-fluoro-6-propan-2-yl-4H-azepine?
The InChIKey is MBCURWJPEXHUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-7(2)8-5-3-4-6-11-9(8)10/h4-7H,3H2,1-2H3.
What are the key properties of 7-fluoro-6-propan-2-yl-4H-azepine?
7-fluoro-6-propan-2-yl-4H-azepine has a molecular weight of 153.20 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-propan-2-yl-4H-azepine is sourced from PubChem (CID 129194067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).