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

C8H14F3NO — CID 103075061

IUPACN-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(5-12-2)6-13-4-3-8(9,10)11/h12H,1,3-6H2,2H3
InChIKeyPQHRVUJXUPQIHD-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds6

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

N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 103075061) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
PubChem CID103075061
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(5-12-2)6-13-4-3-8(9,10)11/h12H,1,3-6H2,2H3
InChIKeyPQHRVUJXUPQIHD-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.73
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

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
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
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine (CID 103075061) is N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine is C=C(CNC)COCCC(F)(F)F.
What is the InChIKey of N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is PQHRVUJXUPQIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(5-12-2)6-13-4-3-8(9,10)11/h12H,1,3-6H2,2H3.
What are the key properties of N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine?
N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103075061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).