N-(2-fluoroethyl)-N-methylbut-3-en-1-amine

C7H14FN — CID 130621814

IUPACN-(2-fluoroethyl)-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)CCF
InChIInChI=1S/C7H14FN/c1-3-4-6-9(2)7-5-8/h3H,1,4-7H2,2H3
InChIKeySIFREIALNVFOGU-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.46
Rot. Bonds5

About N-(2-fluoroethyl)-N-methylbut-3-en-1-amine

N-(2-fluoroethyl)-N-methylbut-3-en-1-amine (PubChem CID 130621814) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methylbut-3-en-1-amine
PubChem CID130621814
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-(2-fluoroethyl)-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)CCF
InChIInChI=1S/C7H14FN/c1-3-4-6-9(2)7-5-8/h3H,1,4-7H2,2H3
InChIKeySIFREIALNVFOGU-UHFFFAOYSA-N
XLogP1.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

But-3-enyl-trimethyl-ammonium; bromide
CID 26007
N,N-dimethyl(3-butenyl)amine
CID 546902
3-Buten-1-amine, N,N-diethyl-
CID 559299
N-but-3-enyl-N-methylbut-3-en-1-amine
CID 13774522
But-3-enyl-fluoro-dipropylazanium
CID 123194586
2-ethenyl-2-fluoro-N,N-dimethylbut-3-en-1-amine
CID 129044069
N-methyl-N-(2,2,2-trifluoroethyl)pent-4-en-1-amine
CID 129267529
N-(2-fluoroethyl)-N-methylprop-2-en-1-amine
CID 131108623
1,1-difluoro-N,N-dimethylbut-3-en-1-amine
CID 135227950
N-fluoro-N-propylbut-3-en-1-amine
CID 139445228
1-(1-Fluoroethyl)-2,3-dihydropyrrole
CID 139880332
1-fluoro-N,N-dimethylbut-3-en-1-amine
CID 148252248

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methylbut-3-en-1-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methylbut-3-en-1-amine (CID 130621814) is N-(2-fluoroethyl)-N-methylbut-3-en-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methylbut-3-en-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methylbut-3-en-1-amine is C=CCCN(C)CCF.
What is the InChIKey of N-(2-fluoroethyl)-N-methylbut-3-en-1-amine?
The InChIKey is SIFREIALNVFOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-4-6-9(2)7-5-8/h3H,1,4-7H2,2H3.
What are the key properties of N-(2-fluoroethyl)-N-methylbut-3-en-1-amine?
N-(2-fluoroethyl)-N-methylbut-3-en-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methylbut-3-en-1-amine is sourced from PubChem (CID 130621814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).