4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine

C10H17F2NO — CID 134531081

IUPAC4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine
SMILESC=C(C)C(C)(F)C(F)N1CCOCC1
InChIInChI=1S/C10H17F2NO/c1-8(2)10(3,12)9(11)13-4-6-14-7-5-13/h9H,1,4-7H2,2-3H3
InChIKeySOSUSLUUTFZCRQ-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.92
Rot. Bonds3

About 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine

4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine (PubChem CID 134531081) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine.

Molecular Properties

Compound Name4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine
PubChem CID134531081
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine
SMILESC=C(C)C(C)(F)C(F)N1CCOCC1
InChIInChI=1S/C10H17F2NO/c1-8(2)10(3,12)9(11)13-4-6-14-7-5-13/h9H,1,4-7H2,2-3H3
InChIKeySOSUSLUUTFZCRQ-UHFFFAOYSA-N
XLogP1.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine?
The IUPAC name of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine (CID 134531081) is 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine.
What is the SMILES notation for 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine?
The canonical SMILES for 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine is C=C(C)C(C)(F)C(F)N1CCOCC1.
What is the InChIKey of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine?
The InChIKey is SOSUSLUUTFZCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-8(2)10(3,12)9(11)13-4-6-14-7-5-13/h9H,1,4-7H2,2-3H3.
What are the key properties of 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine?
4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine has a molecular weight of 205.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-difluoro-2,3-dimethylbut-3-enyl)morpholine is sourced from PubChem (CID 134531081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).