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

C11H18F5NO — CID 103074931

IUPACN-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO/c1-8(5-17-9(2,3)4)6-18-7-10(12,13)11(14,15)16/h17H,1,5-7H2,2-4H3
InChIKeyAEOLKXRGDZZYMY-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.14
Rot. Bonds6

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

N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine (PubChem CID 103074931) has the molecular formula C11H18F5NO and a molecular weight of 275.26 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
PubChem CID103074931
Molecular FormulaC11H18F5NO
Molecular Weight275.26 g/mol
Exact Mass275.13
IUPAC NameN-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)COCC(F)(F)C(F)(F)F
InChIInChI=1S/C11H18F5NO/c1-8(5-17-9(2,3)4)6-18-7-10(12,13)11(14,15)16/h17H,1,5-7H2,2-4H3
InChIKeyAEOLKXRGDZZYMY-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.14
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-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-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine (CID 103074931) is N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine is C=C(CNC(C)(C)C)COCC(F)(F)C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
The InChIKey is AEOLKXRGDZZYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F5NO/c1-8(5-17-9(2,3)4)6-18-7-10(12,13)11(14,15)16/h17H,1,5-7H2,2-4H3.
What are the key properties of N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine?
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine has a molecular weight of 275.26 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).