(4S)-4-azido-3-fluoro-2-methylpent-2-ene

C6H10FN3 — CID 90028298

IUPAC(4S)-4-azido-3-fluoro-2-methylpent-2-ene
SMILESCC(C)=C(F)[C@H](C)N=[N+]=[N-]
InChIInChI=1S/C6H10FN3/c1-4(2)6(7)5(3)9-10-8/h5H,1-3H3/t5-/m0/s1
InChIKeyYKGDQDGKRFTLAD-YFKPBYRVSA-N
MW143.16 g/mol
LogP2.95
Rot. Bonds2

About (4S)-4-azido-3-fluoro-2-methylpent-2-ene

(4S)-4-azido-3-fluoro-2-methylpent-2-ene (PubChem CID 90028298) has the molecular formula C6H10FN3 and a molecular weight of 143.16 g/mol. Its IUPAC name is (4S)-4-azido-3-fluoro-2-methylpent-2-ene.

Molecular Properties

Compound Name(4S)-4-azido-3-fluoro-2-methylpent-2-ene
PubChem CID90028298
Molecular FormulaC6H10FN3
Molecular Weight143.16 g/mol
Exact Mass143.09
IUPAC Name(4S)-4-azido-3-fluoro-2-methylpent-2-ene
SMILESCC(C)=C(F)[C@H](C)N=[N+]=[N-]
InChIInChI=1S/C6H10FN3/c1-4(2)6(7)5(3)9-10-8/h5H,1-3H3/t5-/m0/s1
InChIKeyYKGDQDGKRFTLAD-YFKPBYRVSA-N
XLogP2.95
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.16
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-azido-3-fluoro-2-methylpent-2-ene?
The IUPAC name of (4S)-4-azido-3-fluoro-2-methylpent-2-ene (CID 90028298) is (4S)-4-azido-3-fluoro-2-methylpent-2-ene.
What is the SMILES notation for (4S)-4-azido-3-fluoro-2-methylpent-2-ene?
The canonical SMILES for (4S)-4-azido-3-fluoro-2-methylpent-2-ene is CC(C)=C(F)[C@H](C)N=[N+]=[N-].
What is the InChIKey of (4S)-4-azido-3-fluoro-2-methylpent-2-ene?
The InChIKey is YKGDQDGKRFTLAD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10FN3/c1-4(2)6(7)5(3)9-10-8/h5H,1-3H3/t5-/m0/s1.
What are the key properties of (4S)-4-azido-3-fluoro-2-methylpent-2-ene?
(4S)-4-azido-3-fluoro-2-methylpent-2-ene has a molecular weight of 143.16 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-azido-3-fluoro-2-methylpent-2-ene is sourced from PubChem (CID 90028298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).