N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine

C7H12F3NO — CID 61492468

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-11-4-5-12-6-7(8,9)10/h2,11H,1,3-6H2
InChIKeySRORGUJGIRMFOU-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.34
Rot. Bonds6

About N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine

N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine (PubChem CID 61492468) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
PubChem CID61492468
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
SMILESC=CCNCCOCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-2-3-11-4-5-12-6-7(8,9)10/h2,11H,1,3-6H2
InChIKeySRORGUJGIRMFOU-UHFFFAOYSA-N
XLogP1.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.34
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

(2-Methoxyethyl)(prop-2-en-1-yl)amine
CID 12238050
2-ethoxy-N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
CID 130319502
2-fluoro-N-(2-methoxyethyl)prop-2-en-1-amine
CID 55300286
N-prop-2-enyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491076
N-prop-2-enyl-2-(2,2,2-trifluoroethoxy)propan-1-amine
CID 62566867
2,2,2-trifluoro-N-(2-prop-2-enoxyethyl)ethanamine
CID 62570974
N-prop-2-enyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62597992
N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]prop-2-en-1-amine
CID 62599030
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828236
2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828238
2-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
CID 63828239

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine (CID 61492468) is N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine is C=CCNCCOCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
The InChIKey is SRORGUJGIRMFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-2-3-11-4-5-12-6-7(8,9)10/h2,11H,1,3-6H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine has a molecular weight of 183.17 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 61492468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).