N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine

C11H18F3NO — CID 103075040

IUPACN-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-9(7-15-10-3-4-10)8-16-6-2-5-11(12,13)14/h10,15H,1-8H2
InChIKeyMRMGFGUWOAGGGG-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.65
Rot. Bonds8

About N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103075040) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103075040
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCC(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-9(7-15-10-3-4-10)8-16-6-2-5-11(12,13)14/h10,15H,1-8H2
InChIKeyMRMGFGUWOAGGGG-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.65
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
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-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine (CID 103075040) is N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCCC(F)(F)F.
What is the InChIKey of N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is MRMGFGUWOAGGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-9(7-15-10-3-4-10)8-16-6-2-5-11(12,13)14/h10,15H,1-8H2.
What are the key properties of N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 237.26 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4,4-trifluorobutoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103075040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).