4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine

C9H16F3NO — CID 65329702

IUPAC4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-1-8(13)7-2-5-14-6-3-7/h7-8H,1-6,13H2
InChIKeyFIIXJZJEPVUDMH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds3

About 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine

4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine (PubChem CID 65329702) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine
PubChem CID65329702
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-1-8(13)7-2-5-14-6-3-7/h7-8H,1-6,13H2
InChIKeyFIIXJZJEPVUDMH-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
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-(oxan-4-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine (CID 65329702) is 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine is NC(CCC(F)(F)F)C1CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine?
The InChIKey is FIIXJZJEPVUDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-1-8(13)7-2-5-14-6-3-7/h7-8H,1-6,13H2.
What are the key properties of 4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine?
4,4,4-trifluoro-1-(oxan-4-yl)butan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 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-(oxan-4-yl)butan-1-amine is sourced from PubChem (CID 65329702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).