(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

C12H16F2N4 — CID 97399341

IUPAC(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCNC[C@]12CCN(c1cnccn1)C2
InChIInChI=1S/C12H16F2N4/c13-12(14)1-3-16-8-11(12)2-6-18(9-11)10-7-15-4-5-17-10/h4-5,7,16H,1-3,6,8-9H2/t11-/m0/s1
InChIKeyPRCRQWDFMYOJAK-NSHDSACASA-N
MW254.28 g/mol
LogP1.30
Rot. Bonds1

About (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane

(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (PubChem CID 97399341) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
PubChem CID97399341
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
SMILESFC1(F)CCNC[C@]12CCN(c1cnccn1)C2
InChIInChI=1S/C12H16F2N4/c13-12(14)1-3-16-8-11(12)2-6-18(9-11)10-7-15-4-5-17-10/h4-5,7,16H,1-3,6,8-9H2/t11-/m0/s1
InChIKeyPRCRQWDFMYOJAK-NSHDSACASA-N
XLogP1.30
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The IUPAC name of (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane (CID 97399341) is (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is FC1(F)CCNC[C@]12CCN(c1cnccn1)C2.
What is the InChIKey of (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
The InChIKey is PRCRQWDFMYOJAK-NSHDSACASA-N. The full InChI is InChI=1S/C12H16F2N4/c13-12(14)1-3-16-8-11(12)2-6-18(9-11)10-7-15-4-5-17-10/h4-5,7,16H,1-3,6,8-9H2/t11-/m0/s1.
What are the key properties of (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane?
(5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane has a molecular weight of 254.28 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 97399341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).