5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine

C10H15F2N3O — CID 141395810

IUPAC5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine
SMILESCn1nccc1C1CC(F)(F)CC(N)CO1
InChIInChI=1S/C10H15F2N3O/c1-15-8(2-3-14-15)9-5-10(11,12)4-7(13)6-16-9/h2-3,7,9H,4-6,13H2,1H3
InChIKeyMRCGMZJCRKINQY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.23
Rot. Bonds1

About 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine

5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine (PubChem CID 141395810) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine.

Molecular Properties

Compound Name5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine
PubChem CID141395810
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine
SMILESCn1nccc1C1CC(F)(F)CC(N)CO1
InChIInChI=1S/C10H15F2N3O/c1-15-8(2-3-14-15)9-5-10(11,12)4-7(13)6-16-9/h2-3,7,9H,4-6,13H2,1H3
InChIKeyMRCGMZJCRKINQY-UHFFFAOYSA-N
XLogP1.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine?
The IUPAC name of 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine (CID 141395810) is 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine.
What is the SMILES notation for 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine?
The canonical SMILES for 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine is Cn1nccc1C1CC(F)(F)CC(N)CO1.
What is the InChIKey of 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine?
The InChIKey is MRCGMZJCRKINQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c1-15-8(2-3-14-15)9-5-10(11,12)4-7(13)6-16-9/h2-3,7,9H,4-6,13H2,1H3.
What are the key properties of 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine?
5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine has a molecular weight of 231.25 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-7-(2-methylpyrazol-3-yl)oxepan-3-amine is sourced from PubChem (CID 141395810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).