1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine

C9H15F4NO — CID 103475200

IUPAC1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
SMILESC=CCCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h2,7-8H,1,3-6,14H2
InChIKeyXCDVKLGANAZKAU-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.20
Rot. Bonds8

About 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine

1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine (PubChem CID 103475200) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
PubChem CID103475200
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
SMILESC=CCCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h2,7-8H,1,3-6,14H2
InChIKeyXCDVKLGANAZKAU-UHFFFAOYSA-N
XLogP2.20
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475085
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-4-en-2-amine
CID 103475213
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475048
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103474801
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474803
1-(oxan-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474954
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
1-cyclopentyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 104748992
(4S)-octa-1,7-dien-4-amine
CID 124537914
1-(2,2,2-trifluoroethoxy)dec-9-en-3-amine
CID 107009817

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine (CID 103475200) is 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine is C=CCCC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
The InChIKey is XCDVKLGANAZKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c1-2-3-4-7(14)5-15-6-9(12,13)8(10)11/h2,7-8H,1,3-6,14H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine?
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine has a molecular weight of 229.22 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine is sourced from PubChem (CID 103475200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).