4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine

C8H14F3NO — CID 62604262

IUPAC4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
SMILESNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-6(12)4-7-2-1-3-13-7/h6-7H,1-5,12H2
InChIKeyKXLKNGQDQMNVOT-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds3

About 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine

4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine (PubChem CID 62604262) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
PubChem CID62604262
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
SMILESNC(CC1CCCO1)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-6(12)4-7-2-1-3-13-7/h6-7H,1-5,12H2
InChIKeyKXLKNGQDQMNVOT-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
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-(oxolan-2-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine (CID 62604262) is 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine is NC(CC1CCCO1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
The InChIKey is KXLKNGQDQMNVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-6(12)4-7-2-1-3-13-7/h6-7H,1-5,12H2.
What are the key properties of 4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine?
4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 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-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 62604262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).