N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine

C9H16F3NO — CID 103074344

IUPACN-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)13-4-8(3)5-14-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyNGPGXAQDHZJXGU-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.12
Rot. Bonds6

About N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine

N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine (PubChem CID 103074344) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
PubChem CID103074344
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)13-4-8(3)5-14-6-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyNGPGXAQDHZJXGU-UHFFFAOYSA-N
XLogP2.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.12
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

1,1-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]propan-2-amine
CID 102870149
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-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
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-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine (CID 103074344) is N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine is C=C(CNC(C)C)COCC(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
The InChIKey is NGPGXAQDHZJXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-4-8(3)5-14-6-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).