N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

C9H15F4NO — CID 103475414

IUPACN,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C9H15F4NO/c1-6(2)7(14-3)4-15-5-9(12,13)8(10)11/h7-8,14H,1,4-5H2,2-3H3
InChIKeyMCUOHTVNFHJGLV-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.07
Rot. Bonds7

About N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine

N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (PubChem CID 103475414) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
PubChem CID103475414
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC NameN,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
SMILESC=C(C)C(COCC(F)(F)C(F)F)NC
InChIInChI=1S/C9H15F4NO/c1-6(2)7(14-3)4-15-5-9(12,13)8(10)11/h7-8,14H,1,4-5H2,2-3H3
InChIKeyMCUOHTVNFHJGLV-UHFFFAOYSA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.07
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

2-methylidene-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 66045709
N-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214755
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661
N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215667
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215717
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215725
4-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215727
N-ethyl-3-methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215728
3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215729
N,3-dimethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215733
3-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215735
3-Methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474867

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The IUPAC name of N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine (CID 103475414) is N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine.
What is the SMILES notation for N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The canonical SMILES for N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is C=C(C)C(COCC(F)(F)C(F)F)NC.
What is the InChIKey of N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
The InChIKey is MCUOHTVNFHJGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-6(2)7(14-3)4-15-5-9(12,13)8(10)11/h7-8,14H,1,4-5H2,2-3H3.
What are the key properties of N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine?
N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine has a molecular weight of 229.22 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine is sourced from PubChem (CID 103475414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).