N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine

C8H12F5NO — CID 103074935

IUPACN-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c1-6(3-14-2)4-15-5-7(9,10)8(11,12)13/h14H,1,3-5H2,2H3
InChIKeyZMXIUOCIVKNSGQ-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.98
Rot. Bonds6

About N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine

N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 103074935) has the molecular formula C8H12F5NO and a molecular weight of 233.18 g/mol. Its IUPAC name is N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
PubChem CID103074935
Molecular FormulaC8H12F5NO
Molecular Weight233.18 g/mol
Exact Mass233.08
IUPAC NameN-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C8H12F5NO/c1-6(3-14-2)4-15-5-7(9,10)8(11,12)13/h14H,1,3-5H2,2H3
InChIKeyZMXIUOCIVKNSGQ-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.98
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-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-ethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074495
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
2-(2,2,3,3-Tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074500
N-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074501

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine (CID 103074935) is N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine is C=C(CNC)COCC(F)(F)C(F)(F)F.
What is the InChIKey of N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is ZMXIUOCIVKNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F5NO/c1-6(3-14-2)4-15-5-7(9,10)8(11,12)13/h14H,1,3-5H2,2H3.
What are the key properties of N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 233.18 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).