4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine

C10H16F3NO — CID 64565379

IUPAC4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-3-8(14)7-5-6-1-2-9(7)15-6/h6-9H,1-5,14H2
InChIKeySZSNRBUIBZSSEQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.22
Rot. Bonds3

About 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine

4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine (PubChem CID 64565379) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
PubChem CID64565379
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CC2CCC1O2
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-3-8(14)7-5-6-1-2-9(7)15-6/h6-9H,1-5,14H2
InChIKeySZSNRBUIBZSSEQ-UHFFFAOYSA-N
XLogP2.22
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine (CID 64565379) is 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine is NC(CCC(F)(F)F)C1CC2CCC1O2.
What is the InChIKey of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
The InChIKey is SZSNRBUIBZSSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)4-3-8(14)7-5-6-1-2-9(7)15-6/h6-9H,1-5,14H2.
What are the key properties of 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine?
4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine has a molecular weight of 223.24 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)butan-1-amine is sourced from PubChem (CID 64565379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).