2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine

C7H13F2NO — CID 103075033

IUPAC2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COCC(F)F
InChIInChI=1S/C7H13F2NO/c1-6(3-10-2)4-11-5-7(8)9/h7,10H,1,3-5H2,2H3
InChIKeyQPTCOHINGVQAAT-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.04
Rot. Bonds6

About 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine

2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine (PubChem CID 103075033) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine
PubChem CID103075033
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine
SMILESC=C(CNC)COCC(F)F
InChIInChI=1S/C7H13F2NO/c1-6(3-10-2)4-11-5-7(8)9/h7,10H,1,3-5H2,2H3
InChIKeyQPTCOHINGVQAAT-UHFFFAOYSA-N
XLogP1.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
N-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
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
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-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine (CID 103075033) is 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine is C=C(CNC)COCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine?
The InChIKey is QPTCOHINGVQAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-6(3-10-2)4-11-5-7(8)9/h7,10H,1,3-5H2,2H3.
What are the key properties of 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine?
2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine has a molecular weight of 165.18 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)-N-methylprop-2-en-1-amine is sourced from PubChem (CID 103075033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).