5-fluoro-3,3-dimethylazepine

C8H10FN — CID 143657985

IUPAC5-fluoro-3,3-dimethylazepine
SMILESCC1(C)C=NC=CC(F)=C1
InChIInChI=1S/C8H10FN/c1-8(2)5-7(9)3-4-10-6-8/h3-6H,1-2H3
InChIKeyKOAVUGPMSIKGJF-UHFFFAOYSA-N
MW139.17 g/mol
LogP2.46
Rot. Bonds

About 5-fluoro-3,3-dimethylazepine

5-fluoro-3,3-dimethylazepine (PubChem CID 143657985) has the molecular formula C8H10FN and a molecular weight of 139.17 g/mol. Its IUPAC name is 5-fluoro-3,3-dimethylazepine.

Molecular Properties

Compound Name5-fluoro-3,3-dimethylazepine
PubChem CID143657985
Molecular FormulaC8H10FN
Molecular Weight139.17 g/mol
Exact Mass139.08
IUPAC Name5-fluoro-3,3-dimethylazepine
SMILESCC1(C)C=NC=CC(F)=C1
InChIInChI=1S/C8H10FN/c1-8(2)5-7(9)3-4-10-6-8/h3-6H,1-2H3
InChIKeyKOAVUGPMSIKGJF-UHFFFAOYSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.17
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2E,4E,6E)-N-ethenyl-8-fluoro-5-methyl-6-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylnona-2,4,6,8-tetraen-1-imine
CID 126516076
2-fluoro-3-methyl-3H-azepine
CID 134290089
7-fluoro-6-methyl-3H-azepine
CID 135211562
3-(2-Fluoropropan-2-yl)-3-methylazepine
CID 138721121
5-fluoro-6-methyl-4H-azepine
CID 142010072
(3E)-N-ethenyl-4-fluoro-5-methyl-2-propan-2-ylidenehexa-3,5-dien-1-imine
CID 142433312
6-[(Z)-3-fluoro-2-methylprop-1-enyl]-5-methyl-4H-azepine
CID 142943295
7-fluoro-3-methyl-3H-azepine
CID 142952493
3-Fluoro-3,5-dimethylazepine
CID 143462932
(E)-N-ethenyl-3-fluorohex-3-en-1-imine
CID 143495541
(4Z)-N-ethenyl-4,5-difluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759772
(4E)-N-ethenyl-4-fluoro-6-methyl-2,3-dimethylidenehepta-4,6-dien-1-imine
CID 143759855

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3,3-dimethylazepine?
The IUPAC name of 5-fluoro-3,3-dimethylazepine (CID 143657985) is 5-fluoro-3,3-dimethylazepine.
What is the SMILES notation for 5-fluoro-3,3-dimethylazepine?
The canonical SMILES for 5-fluoro-3,3-dimethylazepine is CC1(C)C=NC=CC(F)=C1.
What is the InChIKey of 5-fluoro-3,3-dimethylazepine?
The InChIKey is KOAVUGPMSIKGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN/c1-8(2)5-7(9)3-4-10-6-8/h3-6H,1-2H3.
What are the key properties of 5-fluoro-3,3-dimethylazepine?
5-fluoro-3,3-dimethylazepine has a molecular weight of 139.17 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3,3-dimethylazepine is sourced from PubChem (CID 143657985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).