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

C9H15F2NO — CID 103075026

IUPACN-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC(F)F
InChIInChI=1S/C9H15F2NO/c1-7(4-12-8-2-3-8)5-13-6-9(10)11/h8-9,12H,1-6H2
InChIKeyXLVIDFQNXUIDAP-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.58
Rot. Bonds7

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

N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103075026) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103075026
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCC(F)F
InChIInChI=1S/C9H15F2NO/c1-7(4-12-8-2-3-8)5-13-6-9(10)11/h8-9,12H,1-6H2
InChIKeyXLVIDFQNXUIDAP-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.58
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-[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-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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine (CID 103075026) is N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCC(F)F.
What is the InChIKey of N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is XLVIDFQNXUIDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(4-12-8-2-3-8)5-13-6-9(10)11/h8-9,12H,1-6H2.
What are the key properties of N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 191.22 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103075026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).