1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine

C8H14F3NO — CID 66466775

IUPAC1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine
SMILESCNC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)5-6-3-2-4-13-6/h6-7,12H,2-5H2,1H3
InChIKeyZVGJSGXGRRWGEQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine

1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine (PubChem CID 66466775) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine
PubChem CID66466775
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine
SMILESCNC(CC1CCCO1)C(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)5-6-3-2-4-13-6/h6-7,12H,2-5H2,1H3
InChIKeyZVGJSGXGRRWGEQ-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine (CID 66466775) is 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine is CNC(CC1CCCO1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine?
The InChIKey is ZVGJSGXGRRWGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-7(8(9,10)11)5-6-3-2-4-13-6/h6-7,12H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine?
1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-(oxolan-2-yl)propan-2-amine is sourced from PubChem (CID 66466775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).