N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine

C9H14F3NO — CID 103074343

IUPACN-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-7(4-13-8-2-3-8)5-14-6-9(10,11)12/h8,13H,1-6H2
InChIKeyYVCZKGFDDFHNKG-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.87
Rot. Bonds6

About N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074343) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074343
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-7(4-13-8-2-3-8)5-14-6-9(10,11)12/h8,13H,1-6H2
InChIKeyYVCZKGFDDFHNKG-UHFFFAOYSA-N
XLogP1.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.87
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

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-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
N-[2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074887
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
N-tert-butyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074890

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074343) is N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is YVCZKGFDDFHNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-7(4-13-8-2-3-8)5-14-6-9(10,11)12/h8,13H,1-6H2.
What are the key properties of N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 209.21 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).