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

C7H11F4NO — CID 103074500

IUPAC2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO/c1-5(2-12)3-13-4-7(10,11)6(8)9/h6H,1-4,12H2
InChIKeyJOQOCXQXKPEEFD-UHFFFAOYSA-N
MW201.16 g/mol
LogP1.42
Rot. Bonds6

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

2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 103074500) has the molecular formula C7H11F4NO and a molecular weight of 201.16 g/mol. Its IUPAC name is 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
PubChem CID103074500
Molecular FormulaC7H11F4NO
Molecular Weight201.16 g/mol
Exact Mass201.08
IUPAC Name2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CN)COCC(F)(F)C(F)F
InChIInChI=1S/C7H11F4NO/c1-5(2-12)3-13-4-7(10,11)6(8)9/h6H,1-4,12H2
InChIKeyJOQOCXQXKPEEFD-UHFFFAOYSA-N
XLogP1.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 51.42
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

(E)-3-fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 14724218
(Z)-2-isopropoxymethyl-3fluoroallylamine
CID 14724219
(E)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 19858177
(Z)-2-(ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 52914478
2-(Ethoxymethyl)-3-fluoroprop-2-en-1-amine
CID 54519097
3-Fluoro-2-(propan-2-yloxymethyl)prop-2-en-1-amine
CID 54520682
(E)-3-fluoro-2-(prop-1-en-2-yloxymethyl)prop-2-en-1-amine
CID 146492755
(E)-3-fluoro-2-(methoxymethyl)prop-2-en-1-amine
CID 146533122
2-(2,2,2-Trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074347
N-methyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074348
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501
2-(1,1,1-Trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074893

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine (CID 103074500) is 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine is C=C(CN)COCC(F)(F)C(F)F.
What is the InChIKey of 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is JOQOCXQXKPEEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO/c1-5(2-12)3-13-4-7(10,11)6(8)9/h6H,1-4,12H2.
What are the key properties of 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 201.16 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).