7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

C10H12FNO — CID 82600925

IUPAC7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
SMILESNC1CCOc2ccc(F)cc2C1
InChIInChI=1S/C10H12FNO/c11-8-1-2-10-7(5-8)6-9(12)3-4-13-10/h1-2,5,9H,3-4,6,12H2
InChIKeyJWGANHATTUZOJV-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.48
Rot. Bonds

About 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine

7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine (PubChem CID 82600925) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine.

Molecular Properties

Compound Name7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
PubChem CID82600925
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
SMILESNC1CCOc2ccc(F)cc2C1
InChIInChI=1S/C10H12FNO/c11-8-1-2-10-7(5-8)6-9(12)3-4-13-10/h1-2,5,9H,3-4,6,12H2
InChIKeyJWGANHATTUZOJV-UHFFFAOYSA-N
XLogP1.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-amine
CID 51557186
7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82605158
[(3S)-6-fluoro-3,4-dihydro-2H-chromen-3-yl]methanamine
CID 96628424
8-methyl-2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 82410402
ethane;6-fluoro-3-methyl-3,4-dihydro-2H-chromene
CID 143996502
oxalic acid;2,3,4,5-tetrahydro-1-benzoxepin-4-amine
CID 118995107
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121
3-amino-5-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-pyrazole-4-carbonitrile
CID 118669667
6-fluoro-3-(4-methylcyclohexyl)-3,4-dihydro-2H-chromene
CID 143211285
4-amino-9-fluoro-2,3,4,6-tetrahydro-1,6-benzoxazocin-5-one
CID 117246884
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
4-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121920

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The IUPAC name of 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine (CID 82600925) is 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine.
What is the SMILES notation for 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The canonical SMILES for 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine is NC1CCOc2ccc(F)cc2C1.
What is the InChIKey of 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
The InChIKey is JWGANHATTUZOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-1-2-10-7(5-8)6-9(12)3-4-13-10/h1-2,5,9H,3-4,6,12H2.
What are the key properties of 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine?
7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine has a molecular weight of 181.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-4-amine is sourced from PubChem (CID 82600925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).