N-ethenyl-3-fluoro-N-methylbutan-1-amine

C7H14FN — CID 142562581

IUPACN-ethenyl-3-fluoro-N-methylbutan-1-amine
SMILESC=CN(C)CCC(C)F
InChIInChI=1S/C7H14FN/c1-4-9(3)6-5-7(2)8/h4,7H,1,5-6H2,2-3H3
InChIKeyKNTNOHBTOABCHS-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.81
Rot. Bonds4

About N-ethenyl-3-fluoro-N-methylbutan-1-amine

N-ethenyl-3-fluoro-N-methylbutan-1-amine (PubChem CID 142562581) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is N-ethenyl-3-fluoro-N-methylbutan-1-amine.

Molecular Properties

Compound NameN-ethenyl-3-fluoro-N-methylbutan-1-amine
PubChem CID142562581
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC NameN-ethenyl-3-fluoro-N-methylbutan-1-amine
SMILESC=CN(C)CCC(C)F
InChIInChI=1S/C7H14FN/c1-4-9(3)6-5-7(2)8/h4,7H,1,5-6H2,2-3H3
InChIKeyKNTNOHBTOABCHS-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-3-fluoro-N-methylbutan-1-amine?
The IUPAC name of N-ethenyl-3-fluoro-N-methylbutan-1-amine (CID 142562581) is N-ethenyl-3-fluoro-N-methylbutan-1-amine.
What is the SMILES notation for N-ethenyl-3-fluoro-N-methylbutan-1-amine?
The canonical SMILES for N-ethenyl-3-fluoro-N-methylbutan-1-amine is C=CN(C)CCC(C)F.
What is the InChIKey of N-ethenyl-3-fluoro-N-methylbutan-1-amine?
The InChIKey is KNTNOHBTOABCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-9(3)6-5-7(2)8/h4,7H,1,5-6H2,2-3H3.
What are the key properties of N-ethenyl-3-fluoro-N-methylbutan-1-amine?
N-ethenyl-3-fluoro-N-methylbutan-1-amine has a molecular weight of 131.19 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-3-fluoro-N-methylbutan-1-amine is sourced from PubChem (CID 142562581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).