5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine

C9H16F3NO — CID 64567828

IUPAC5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-3-7(13)6-8-2-1-5-14-8/h7-8H,1-6,13H2
InChIKeyLRJIEWVLZRCCRZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds4

About 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine

5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine (PubChem CID 64567828) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine
PubChem CID64567828
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine
SMILESNC(CCC(F)(F)F)CC1CCCO1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)4-3-7(13)6-8-2-1-5-14-8/h7-8H,1-6,13H2
InChIKeyLRJIEWVLZRCCRZ-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine (CID 64567828) is 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine is NC(CCC(F)(F)F)CC1CCCO1.
What is the InChIKey of 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine?
The InChIKey is LRJIEWVLZRCCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)4-3-7(13)6-8-2-1-5-14-8/h7-8H,1-6,13H2.
What are the key properties of 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine?
5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(oxolan-2-yl)pentan-2-amine is sourced from PubChem (CID 64567828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).