3-fluoro-N-propylbut-1-en-2-amine

C7H14FN — CID 88874456

IUPAC3-fluoro-N-propylbut-1-en-2-amine
SMILESC=C(NCCC)C(C)F
InChIInChI=1S/C7H14FN/c1-4-5-9-7(3)6(2)8/h6,9H,3-5H2,1-2H3
InChIKeyIQIWXWOCBDRBMP-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.86
Rot. Bonds4

About 3-fluoro-N-propylbut-1-en-2-amine

3-fluoro-N-propylbut-1-en-2-amine (PubChem CID 88874456) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-N-propylbut-1-en-2-amine.

Molecular Properties

Compound Name3-fluoro-N-propylbut-1-en-2-amine
PubChem CID88874456
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-N-propylbut-1-en-2-amine
SMILESC=C(NCCC)C(C)F
InChIInChI=1S/C7H14FN/c1-4-5-9-7(3)6(2)8/h6,9H,3-5H2,1-2H3
InChIKeyIQIWXWOCBDRBMP-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propylbut-1-en-2-amine?
The IUPAC name of 3-fluoro-N-propylbut-1-en-2-amine (CID 88874456) is 3-fluoro-N-propylbut-1-en-2-amine.
What is the SMILES notation for 3-fluoro-N-propylbut-1-en-2-amine?
The canonical SMILES for 3-fluoro-N-propylbut-1-en-2-amine is C=C(NCCC)C(C)F.
What is the InChIKey of 3-fluoro-N-propylbut-1-en-2-amine?
The InChIKey is IQIWXWOCBDRBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-4-5-9-7(3)6(2)8/h6,9H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-N-propylbut-1-en-2-amine?
3-fluoro-N-propylbut-1-en-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propylbut-1-en-2-amine is sourced from PubChem (CID 88874456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).