N-ethyl-4-fluoro-2-methylidenebutan-1-amine

C7H14FN — CID 155190251

IUPACN-ethyl-4-fluoro-2-methylidenebutan-1-amine
SMILESC=C(CCF)CNCC
InChIInChI=1S/C7H14FN/c1-3-9-6-7(2)4-5-8/h9H,2-6H2,1H3
InChIKeyXBIKFHRTDIXRFP-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.51
Rot. Bonds5

About N-ethyl-4-fluoro-2-methylidenebutan-1-amine

N-ethyl-4-fluoro-2-methylidenebutan-1-amine (PubChem CID 155190251) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-ethyl-4-fluoro-2-methylidenebutan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-fluoro-2-methylidenebutan-1-amine
PubChem CID155190251
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-ethyl-4-fluoro-2-methylidenebutan-1-amine
SMILESC=C(CCF)CNCC
InChIInChI=1S/C7H14FN/c1-3-9-6-7(2)4-5-8/h9H,2-6H2,1H3
InChIKeyXBIKFHRTDIXRFP-UHFFFAOYSA-N
XLogP1.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-ethyl-4-fluoro-2-methylidenebutan-1-amine?
The IUPAC name of N-ethyl-4-fluoro-2-methylidenebutan-1-amine (CID 155190251) is N-ethyl-4-fluoro-2-methylidenebutan-1-amine.
What is the SMILES notation for N-ethyl-4-fluoro-2-methylidenebutan-1-amine?
The canonical SMILES for N-ethyl-4-fluoro-2-methylidenebutan-1-amine is C=C(CCF)CNCC.
What is the InChIKey of N-ethyl-4-fluoro-2-methylidenebutan-1-amine?
The InChIKey is XBIKFHRTDIXRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-9-6-7(2)4-5-8/h9H,2-6H2,1H3.
What are the key properties of N-ethyl-4-fluoro-2-methylidenebutan-1-amine?
N-ethyl-4-fluoro-2-methylidenebutan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-fluoro-2-methylidenebutan-1-amine is sourced from PubChem (CID 155190251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).