N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine

C11H19F4NO — CID 103074498

IUPACN-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c1-8(5-16-10(2,3)4)6-17-7-11(14,15)9(12)13/h9,16H,1,5-7H2,2-4H3
InChIKeyWSUKPPJYHYDSHU-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.85
Rot. Bonds7

About N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine

N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 103074498) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
PubChem CID103074498
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC NameN-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c1-8(5-16-10(2,3)4)6-17-7-11(14,15)9(12)13/h9,16H,1,5-7H2,2-4H3
InChIKeyWSUKPPJYHYDSHU-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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-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-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
N-ethyl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074886

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine (CID 103074498) is N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCC(F)(F)C(F)F.
What is the InChIKey of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is WSUKPPJYHYDSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-8(5-16-10(2,3)4)6-17-7-11(14,15)9(12)13/h9,16H,1,5-7H2,2-4H3.
What are the key properties of N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 257.27 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).