1-azido-2,3,3-trifluorobutane

C4H6F3N3 — CID 152500203

IUPAC1-azido-2,3,3-trifluorobutane
SMILESCC(F)(F)C(F)CN=[N+]=[N-]
InChIInChI=1S/C4H6F3N3/c1-4(6,7)3(5)2-9-10-8/h3H,2H2,1H3
InChIKeyYDHOIHIPNNGUKI-UHFFFAOYSA-N
MW153.11 g/mol
LogP2.29
Rot. Bonds3

About 1-azido-2,3,3-trifluorobutane

1-azido-2,3,3-trifluorobutane (PubChem CID 152500203) has the molecular formula C4H6F3N3 and a molecular weight of 153.11 g/mol. Its IUPAC name is 1-azido-2,3,3-trifluorobutane.

Molecular Properties

Compound Name1-azido-2,3,3-trifluorobutane
PubChem CID152500203
Molecular FormulaC4H6F3N3
Molecular Weight153.11 g/mol
Exact Mass153.05
IUPAC Name1-azido-2,3,3-trifluorobutane
SMILESCC(F)(F)C(F)CN=[N+]=[N-]
InChIInChI=1S/C4H6F3N3/c1-4(6,7)3(5)2-9-10-8/h3H,2H2,1H3
InChIKeyYDHOIHIPNNGUKI-UHFFFAOYSA-N
XLogP2.29
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 52.29
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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Related Compounds

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1-azido-2-isocyanopropane
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1-azido-2-chloropropane
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(2S)-3-azido-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
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[(2R,3R,4S)-5-azido-2-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-3-yl]oxy-tert-butyl-dimethylsilane
CID 91804971
(4S)-1-azido-4-fluoropentane
CID 134547070
(2-azido-1-methoxyethyl)cyclopropane
CID 102567991
4-azidobut-2-enoxy-tert-butyl-dimethylsilane
CID 71412857
ethyl 3-azido-2-(2,2,2-trifluoroethylamino)propanoate
CID 66427319

Frequently Asked Questions

What is the IUPAC name of 1-azido-2,3,3-trifluorobutane?
The IUPAC name of 1-azido-2,3,3-trifluorobutane (CID 152500203) is 1-azido-2,3,3-trifluorobutane.
What is the SMILES notation for 1-azido-2,3,3-trifluorobutane?
The canonical SMILES for 1-azido-2,3,3-trifluorobutane is CC(F)(F)C(F)CN=[N+]=[N-].
What is the InChIKey of 1-azido-2,3,3-trifluorobutane?
The InChIKey is YDHOIHIPNNGUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3N3/c1-4(6,7)3(5)2-9-10-8/h3H,2H2,1H3.
What are the key properties of 1-azido-2,3,3-trifluorobutane?
1-azido-2,3,3-trifluorobutane has a molecular weight of 153.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-2,3,3-trifluorobutane is sourced from PubChem (CID 152500203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).