N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine

C9H15F4NO — CID 103074495

IUPACN-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-3-14-4-7(2)5-15-6-9(12,13)8(10)11/h8,14H,2-6H2,1H3
InChIKeyVCEDSXJFTJBHGK-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.07
Rot. Bonds8

About N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine

N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 103074495) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
PubChem CID103074495
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC NameN-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNCC)COCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-3-14-4-7(2)5-15-6-9(12,13)8(10)11/h8,14H,2-6H2,1H3
InChIKeyVCEDSXJFTJBHGK-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074343
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074348
N-[2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074496
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine (CID 103074495) is N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine is C=C(CNCC)COCC(F)(F)C(F)F.
What is the InChIKey of N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is VCEDSXJFTJBHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-3-14-4-7(2)5-15-6-9(12,13)8(10)11/h8,14H,2-6H2,1H3.
What are the key properties of N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 229.22 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).