6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine

C9H12FN — CID 167226768

IUPAC6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
SMILESC=C(C)N1C=C(F)C=CCC1
InChIInChI=1S/C9H12FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7H,1,4,6H2,2H3
InChIKeyHUEMYOMJJCYVMK-UHFFFAOYSA-N
MW153.20 g/mol
LogP2.59
Rot. Bonds1

About 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine

6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine (PubChem CID 167226768) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine.

Molecular Properties

Compound Name6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
PubChem CID167226768
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine
SMILESC=C(C)N1C=C(F)C=CCC1
InChIInChI=1S/C9H12FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7H,1,4,6H2,2H3
InChIKeyHUEMYOMJJCYVMK-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 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 ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethenyl-7-methyl-N-(2,2,2-trifluoroethyl)cyclohepta-1,3,6-trien-1-amine
CID 123191642
(3E,5Z)-N-but-3-enyl-6-fluoro-N-methylhexa-1,3,5-trien-2-amine
CID 124175129
(3Z,5Z)-4-fluoro-N-methyl-N-propan-2-ylocta-3,5,7-trien-3-amine
CID 146595703
1-(2,2-Difluoroethyl)-5,7-dimethyl-2,3-dihydroazepine
CID 153556775
6-Fluoro-1-propan-2-yl-2,3-dihydroazepine
CID 166157493
2-(fluoromethyl)-N-[(2Z,4E)-hexa-2,4-dien-2-yl]-N,3,4-trimethylcyclohepta-1,3,5-trien-1-amine
CID 167244767
1-Ethenyl-4-fluoro-2,3,6,7-tetrahydroazepine
CID 168942654
6-Fluoro-1-methyl-2,3-dihydroazepine
CID 168942819
1-Ethyl-6-fluoro-2,3-dihydroazepine
CID 169145835
4-Fluoro-1-prop-1-en-2-yl-2,3,4,7-tetrahydroazepine
CID 170601452
4-Fluoro-1-prop-1-en-2-yl-2,3,6,7-tetrahydroazepine
CID 170601736
Cyclopenta-1,3-dien-1-yl-dimethyl-(2,2,2-trifluoroethyl)azanium;zirconium
CID 174278720

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
The IUPAC name of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine (CID 167226768) is 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine.
What is the SMILES notation for 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
The canonical SMILES for 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine is C=C(C)N1C=C(F)C=CCC1.
What is the InChIKey of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
The InChIKey is HUEMYOMJJCYVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-8(2)11-6-4-3-5-9(10)7-11/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine?
6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine has a molecular weight of 153.20 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-prop-1-en-2-yl-2,3-dihydroazepine is sourced from PubChem (CID 167226768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).