N-(2-fluoroethyl)prop-2-en-1-amine

C5H10FN — CID 80699895

IUPACN-(2-fluoroethyl)prop-2-en-1-amine
SMILESC=CCNCCF
InChIInChI=1S/C5H10FN/c1-2-4-7-5-3-6/h2,7H,1,3-5H2
InChIKeyKYGYLFVVGWVNIV-UHFFFAOYSA-N
MW103.14 g/mol
LogP0.73
Rot. Bonds4

About N-(2-fluoroethyl)prop-2-en-1-amine

N-(2-fluoroethyl)prop-2-en-1-amine (PubChem CID 80699895) has the molecular formula C5H10FN and a molecular weight of 103.14 g/mol. Its IUPAC name is N-(2-fluoroethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)prop-2-en-1-amine
PubChem CID80699895
Molecular FormulaC5H10FN
Molecular Weight103.14 g/mol
Exact Mass103.08
IUPAC NameN-(2-fluoroethyl)prop-2-en-1-amine
SMILESC=CCNCCF
InChIInChI=1S/C5H10FN/c1-2-4-7-5-3-6/h2,7H,1,3-5H2
InChIKeyKYGYLFVVGWVNIV-UHFFFAOYSA-N
XLogP0.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.14
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 31279
CID 31279
CID 69391
CID 69391
CID 521977
CID 521977
CID 72885
CID 72885
CID 12397185
CID 12397185
CID 20193693
CID 20193693
CID 57469591
CID 57469591
CID 10898762
CID 10898762
CID 28563252
CID 28563252
CID 45792127
CID 45792127
CID 6992612
CID 6992612
CID 7318907
CID 7318907

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)prop-2-en-1-amine?
The IUPAC name of N-(2-fluoroethyl)prop-2-en-1-amine (CID 80699895) is N-(2-fluoroethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)prop-2-en-1-amine?
The canonical SMILES for N-(2-fluoroethyl)prop-2-en-1-amine is C=CCNCCF.
What is the InChIKey of N-(2-fluoroethyl)prop-2-en-1-amine?
The InChIKey is KYGYLFVVGWVNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN/c1-2-4-7-5-3-6/h2,7H,1,3-5H2.
What are the key properties of N-(2-fluoroethyl)prop-2-en-1-amine?
N-(2-fluoroethyl)prop-2-en-1-amine has a molecular weight of 103.14 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)prop-2-en-1-amine is sourced from PubChem (CID 80699895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).