2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine

C10H18FN — CID 91101622

IUPAC2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine
SMILESC=C(C)C(C)(F)C(C)C1NC1C
InChIInChI=1S/C10H18FN/c1-6(2)10(5,11)7(3)9-8(4)12-9/h7-9,12H,1H2,2-5H3
InChIKeyCWFWUZOSZDRALQ-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.29
Rot. Bonds3

About 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine

2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine (PubChem CID 91101622) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine.

Molecular Properties

Compound Name2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine
PubChem CID91101622
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine
SMILESC=C(C)C(C)(F)C(C)C1NC1C
InChIInChI=1S/C10H18FN/c1-6(2)10(5,11)7(3)9-8(4)12-9/h7-9,12H,1H2,2-5H3
InChIKeyCWFWUZOSZDRALQ-UHFFFAOYSA-N
XLogP2.29
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-(2-Fluoro-3-methylbut-3-en-2-yl)piperidine
CID 112565002
2-(2-Fluoro-3-methylbut-3-en-2-yl)pyrrolidine
CID 131062562
2-(5-Methylidenedec-1-en-4-yl)aziridine
CID 87336330
2-(2-Ethylpent-4-enyl)-3-methylaziridine
CID 123247082
2-Oct-1-en-4-ylaziridine
CID 135227727
(2S)-N,3,4,5,6-pentamethylhept-6-en-2-amine
CID 141796391
2-(5-Ethyl-3,7-dimethyloct-7-en-2-yl)aziridine
CID 146656885
2-(2-Methylprop-2-enyl)-2-(2-methylpropyl)aziridine
CID 155107380
N,2,3-trimethyl-2-(2-methylprop-2-enyl)cyclopropan-1-amine
CID 156042415
5-methyl-6-methylidene-N-propan-2-yloctan-1-amine
CID 156124134
5-ethyl-N,4,6-trimethylhept-6-en-3-amine
CID 156422337
N-ethyl-2-(3-methylbut-3-en-2-yl)-3-methylidenecyclopropan-1-amine
CID 156526087

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine?
The IUPAC name of 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine (CID 91101622) is 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine.
What is the SMILES notation for 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine?
The canonical SMILES for 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine is C=C(C)C(C)(F)C(C)C1NC1C.
What is the InChIKey of 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine?
The InChIKey is CWFWUZOSZDRALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-6(2)10(5,11)7(3)9-8(4)12-9/h7-9,12H,1H2,2-5H3.
What are the key properties of 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine?
2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine has a molecular weight of 171.26 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-3,4-dimethylpent-4-en-2-yl)-3-methylaziridine is sourced from PubChem (CID 91101622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).