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

C10H17F4NO — CID 103474803

IUPAC1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESNC(COCC(F)(F)C(F)F)CC1CCC1
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-5-8(15)4-7-2-1-3-7/h7-9H,1-6,15H2
InChIKeyBQCGADHPUPXCDT-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.42
Rot. Bonds7

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

1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103474803) has the molecular formula C10H17F4NO and a molecular weight of 243.24 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103474803
Molecular FormulaC10H17F4NO
Molecular Weight243.24 g/mol
Exact Mass243.12
IUPAC Name1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESNC(COCC(F)(F)C(F)F)CC1CCC1
InChIInChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-5-8(15)4-7-2-1-3-7/h7-9H,1-6,15H2
InChIKeyBQCGADHPUPXCDT-UHFFFAOYSA-N
XLogP2.42
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103474803) is 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is NC(COCC(F)(F)C(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is BQCGADHPUPXCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO/c11-9(12)10(13,14)6-16-5-8(15)4-7-2-1-3-7/h7-9H,1-6,15H2.
What are the key properties of 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 243.24 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103474803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).