1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C9H17F4NO2 — CID 103475048

IUPAC1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCCOCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-2-3-15-4-7(14)5-16-6-9(12,13)8(10)11/h7-8H,2-6,14H2,1H3
InChIKeyADLOKLHCVUDWCJ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.66
Rot. Bonds9

About 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475048) has the molecular formula C9H17F4NO2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475048
Molecular FormulaC9H17F4NO2
Molecular Weight247.23 g/mol
Exact Mass247.12
IUPAC Name1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCCOCC(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-2-3-15-4-7(14)5-16-6-9(12,13)8(10)11/h7-8H,2-6,14H2,1H3
InChIKeyADLOKLHCVUDWCJ-UHFFFAOYSA-N
XLogP1.66
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

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
5-ethylsulfonyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103474801
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
1-(2,2,3,3-tetrafluoropropoxy)hex-5-en-2-amine
CID 103475200
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103474803
3-ethyl-N-propyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475913
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
1-(2,2,3,3-tetrafluoropropoxy)but-3-en-2-amine
CID 103474862
1-[2-[[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]-methylamino]ethyl-methylamino]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 118376151
4-methyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-ol
CID 103474135

Frequently Asked Questions

What is the IUPAC name of 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475048) is 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCCOCC(N)COCC(F)(F)C(F)F.
What is the InChIKey of 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is ADLOKLHCVUDWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2/c1-2-3-15-4-7(14)5-16-6-9(12,13)8(10)11/h7-8H,2-6,14H2,1H3.
What are the key properties of 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 247.23 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxy-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).