N-ethyl-3-fluorobut-1-en-2-amine

C6H12FN — CID 170019433

IUPACN-ethyl-3-fluorobut-1-en-2-amine
SMILESC=C(NCC)C(C)F
InChIInChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h5,8H,3-4H2,1-2H3
InChIKeyPLDPCTYKLNUSHJ-UHFFFAOYSA-N
MW117.17 g/mol
LogP1.47
Rot. Bonds3

About N-ethyl-3-fluorobut-1-en-2-amine

N-ethyl-3-fluorobut-1-en-2-amine (PubChem CID 170019433) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-ethyl-3-fluorobut-1-en-2-amine.

Molecular Properties

Compound NameN-ethyl-3-fluorobut-1-en-2-amine
PubChem CID170019433
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-ethyl-3-fluorobut-1-en-2-amine
SMILESC=C(NCC)C(C)F
InChIInChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h5,8H,3-4H2,1-2H3
InChIKeyPLDPCTYKLNUSHJ-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluorobut-1-en-2-amine?
The IUPAC name of N-ethyl-3-fluorobut-1-en-2-amine (CID 170019433) is N-ethyl-3-fluorobut-1-en-2-amine.
What is the SMILES notation for N-ethyl-3-fluorobut-1-en-2-amine?
The canonical SMILES for N-ethyl-3-fluorobut-1-en-2-amine is C=C(NCC)C(C)F.
What is the InChIKey of N-ethyl-3-fluorobut-1-en-2-amine?
The InChIKey is PLDPCTYKLNUSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-4-8-6(3)5(2)7/h5,8H,3-4H2,1-2H3.
What are the key properties of N-ethyl-3-fluorobut-1-en-2-amine?
N-ethyl-3-fluorobut-1-en-2-amine has a molecular weight of 117.17 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluorobut-1-en-2-amine is sourced from PubChem (CID 170019433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).