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

C8H14F3NO — CID 65331595

IUPAC4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCCO1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h6-7H,1-5,12H2
InChIKeyGTIAHLUGWQEDHM-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds3

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

4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine (PubChem CID 65331595) 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-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine
PubChem CID65331595
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCCO1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h6-7H,1-5,12H2
InChIKeyGTIAHLUGWQEDHM-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-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine (CID 65331595) is 4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine is NC(CCC(F)(F)F)C1CCCO1.
What is the InChIKey of 4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine?
The InChIKey is GTIAHLUGWQEDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)4-3-6(12)7-2-1-5-13-7/h6-7H,1-5,12H2.
What are the key properties of 4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-amine?
4,4,4-trifluoro-1-(oxolan-2-yl)butan-1-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-1-amine is sourced from PubChem (CID 65331595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).