(2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran

C7H10F2Se — CID 101226501

IUPAC(2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran
SMILESC[C@@H]1C=C[C@H](C)C(F)(F)[Se]1
InChIInChI=1S/C7H10F2Se/c1-5-3-4-6(2)10-7(5,8)9/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyCYTWPXRFTVRWNX-NTSWFWBYSA-N
MW211.11 g/mol
LogP2.30
Rot. Bonds

About (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran

(2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran (PubChem CID 101226501) has the molecular formula C7H10F2Se and a molecular weight of 211.11 g/mol. Its IUPAC name is (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran.

Molecular Properties

Compound Name(2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran
PubChem CID101226501
Molecular FormulaC7H10F2Se
Molecular Weight211.11 g/mol
Exact Mass211.99
IUPAC Name(2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran
SMILESC[C@@H]1C=C[C@H](C)C(F)(F)[Se]1
InChIInChI=1S/C7H10F2Se/c1-5-3-4-6(2)10-7(5,8)9/h3-6H,1-2H3/t5-,6+/m0/s1
InChIKeyCYTWPXRFTVRWNX-NTSWFWBYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.11
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran?
The IUPAC name of (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran (CID 101226501) is (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran.
What is the SMILES notation for (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran?
The canonical SMILES for (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran is C[C@@H]1C=C[C@H](C)C(F)(F)[Se]1.
What is the InChIKey of (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran?
The InChIKey is CYTWPXRFTVRWNX-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H10F2Se/c1-5-3-4-6(2)10-7(5,8)9/h3-6H,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran?
(2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran has a molecular weight of 211.11 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-6,6-difluoro-2,5-dimethyl-2,5-dihydroselenopyran is sourced from PubChem (CID 101226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).