2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine

C9H16F3NO — CID 114470965

IUPAC2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
SMILESC=C(C)CCOCCNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2)3-5-14-6-4-13-7-9(10,11)12/h13H,1,3-7H2,2H3
InChIKeyRBMVTCRDMQFBSJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine (PubChem CID 114470965) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
PubChem CID114470965
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine
SMILESC=C(C)CCOCCNCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2)3-5-14-6-4-13-7-9(10,11)12/h13H,1,3-7H2,2H3
InChIKeyRBMVTCRDMQFBSJ-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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

CID 62599212
CID 62599212
CID 63828236
CID 63828236
CID 66045709
CID 66045709
CID 79114123
CID 79114123
CID 103215713
CID 103215713
CID 103215719
CID 103215719
CID 103215720
CID 103215720
CID 103215728
CID 103215728
CID 103215733
CID 103215733
CID 103215735
CID 103215735
CID 103475414
CID 103475414
CID 103475749
CID 103475749

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine (CID 114470965) is 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine is C=C(C)CCOCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
The InChIKey is RBMVTCRDMQFBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2)3-5-14-6-4-13-7-9(10,11)12/h13H,1,3-7H2,2H3.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(3-methylbut-3-enoxy)ethyl]ethanamine is sourced from PubChem (CID 114470965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).