1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine

C8H14FN — CID 166157459

IUPAC1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine
SMILESCCN1CCC=C(F)CC1
InChIInChI=1S/C8H14FN/c1-2-10-6-3-4-8(9)5-7-10/h4H,2-3,5-7H2,1H3
InChIKeyBJKYEEGQWCQUEW-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.96
Rot. Bonds1

About 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine

1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine (PubChem CID 166157459) has the molecular formula C8H14FN and a molecular weight of 143.21 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine.

Molecular Properties

Compound Name1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine
PubChem CID166157459
Molecular FormulaC8H14FN
Molecular Weight143.21 g/mol
Exact Mass143.11
IUPAC Name1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine
SMILESCCN1CCC=C(F)CC1
InChIInChI=1S/C8H14FN/c1-2-10-6-3-4-8(9)5-7-10/h4H,2-3,5-7H2,1H3
InChIKeyBJKYEEGQWCQUEW-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
CID 127741808
5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 127772956
(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine
CID 129156684
1-[(E)-3-fluoroprop-2-enyl]-3,6-dihydro-2H-pyridine
CID 146499175
1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 151537795
6,6-difluoro-1-methyl-3,7-dihydro-2H-azepine
CID 166157341
4-Fluoro-1-methyl-2,3,6,7-tetrahydroazepine
CID 166157382
4-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 166157383
4-Fluoro-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 166157427
3-Fluoro-1-propan-2-yl-2,3,6,7-tetrahydroazepine
CID 166157450

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine?
The IUPAC name of 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine (CID 166157459) is 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine.
What is the SMILES notation for 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine?
The canonical SMILES for 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine is CCN1CCC=C(F)CC1.
What is the InChIKey of 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine?
The InChIKey is BJKYEEGQWCQUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-2-10-6-3-4-8(9)5-7-10/h4H,2-3,5-7H2,1H3.
What are the key properties of 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine?
1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine has a molecular weight of 143.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-2,3,6,7-tetrahydroazepine is sourced from PubChem (CID 166157459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).