4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine

C11H22FNO — CID 170094985

IUPAC4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine
SMILESC=CCC(CF)OCC(C)CCNC
InChIInChI=1S/C11H22FNO/c1-4-5-11(8-12)14-9-10(2)6-7-13-3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyBTFMRLZBXMRJDD-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.16
Rot. Bonds9

About 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine

4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine (PubChem CID 170094985) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine
PubChem CID170094985
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine
SMILESC=CCC(CF)OCC(C)CCNC
InChIInChI=1S/C11H22FNO/c1-4-5-11(8-12)14-9-10(2)6-7-13-3/h4,10-11,13H,1,5-9H2,2-3H3
InChIKeyBTFMRLZBXMRJDD-UHFFFAOYSA-N
XLogP2.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine?
The IUPAC name of 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine (CID 170094985) is 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine?
The canonical SMILES for 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine is C=CCC(CF)OCC(C)CCNC.
What is the InChIKey of 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine?
The InChIKey is BTFMRLZBXMRJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-4-5-11(8-12)14-9-10(2)6-7-13-3/h4,10-11,13H,1,5-9H2,2-3H3.
What are the key properties of 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine?
4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine has a molecular weight of 203.30 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoropent-4-en-2-yloxy)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 170094985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).