N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine

C8H16FNO — CID 114467132

IUPACN-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCCF
InChIInChI=1S/C8H16FNO/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,3-7H2,2H3
InChIKeyOOIYSUAFBFQZQY-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.14
Rot. Bonds7

About N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine

N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine (PubChem CID 114467132) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
PubChem CID114467132
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine
SMILESC=C(C)COCCNCCF
InChIInChI=1S/C8H16FNO/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,3-7H2,2H3
InChIKeyOOIYSUAFBFQZQY-UHFFFAOYSA-N
XLogP1.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-[2-[(E)-2-fluorobut-2-enoxy]ethyl]propan-2-amine
CID 139410521
1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
4,4,4-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]butan-1-amine
CID 114467137
2,2-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467227
N-[2-(2-methylprop-2-enoxy)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114467234
2,2,2-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]ethanamine
CID 114467454
3,3,3-trifluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467497
3-fluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-1-amine
CID 114467702
2-(2-methylprop-2-enoxy)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 114467715
2-(2-methylprop-2-enoxy)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 114467774
N-(2-fluoroethyl)-2-prop-2-enoxyethanamine
CID 130501726
N-methyl-2-(2-methylprop-2-enoxy)ethanamine
CID 22947404

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The IUPAC name of N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine (CID 114467132) is N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine.
What is the SMILES notation for N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The canonical SMILES for N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine is C=C(C)COCCNCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine?
The InChIKey is OOIYSUAFBFQZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(2)7-11-6-5-10-4-3-9/h10H,1,3-7H2,2H3.
What are the key properties of N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine?
N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine has a molecular weight of 161.22 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(2-methylprop-2-enoxy)ethanamine is sourced from PubChem (CID 114467132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).