4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine

C9H15F4NO — CID 103474998

IUPAC4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
SMILESCC(C)=CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-6(2)3-7(14)4-15-5-9(12,13)8(10)11/h3,7-8H,4-5,14H2,1-2H3
InChIKeyAWMAZORQBLBXLC-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.20
Rot. Bonds6

About 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine

4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine (PubChem CID 103474998) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
PubChem CID103474998
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
SMILESCC(C)=CC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-6(2)3-7(14)4-15-5-9(12,13)8(10)11/h3,7-8H,4-5,14H2,1-2H3
InChIKeyAWMAZORQBLBXLC-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.20
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

3-Ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine
CID 91441153
(E)-4-methyl-1-(2,2,2-trifluoroethoxy)hex-3-ene-1,5-diamine
CID 146537669
ethyl (2S)-2-amino-4-(difluoromethyl)-5,5-difluoropent-3-enoate
CID 101452993
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215720
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215721
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
3-Methyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215729
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-yl]hydrazine
CID 103217615
3-Methyl-1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474867
N,4-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 103475527
4-methyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 103475927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine?
The IUPAC name of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine (CID 103474998) is 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine.
What is the SMILES notation for 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine?
The canonical SMILES for 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine is CC(C)=CC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine?
The InChIKey is AWMAZORQBLBXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-6(2)3-7(14)4-15-5-9(12,13)8(10)11/h3,7-8H,4-5,14H2,1-2H3.
What are the key properties of 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine?
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine has a molecular weight of 229.22 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine is sourced from PubChem (CID 103474998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).