[4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine

C8H14F3NO — CID 84774211

IUPAC[4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine
SMILESNCC1COCCC1CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-6-1-2-13-5-7(6)4-12/h6-7H,1-5,12H2
InChIKeyYSCFSOFHRAXTNS-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.55
Rot. Bonds2

About [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine

[4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine (PubChem CID 84774211) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine
PubChem CID84774211
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine
SMILESNCC1COCCC1CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-6-1-2-13-5-7(6)4-12/h6-7H,1-5,12H2
InChIKeyYSCFSOFHRAXTNS-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine?
The IUPAC name of [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine (CID 84774211) is [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine.
What is the SMILES notation for [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine?
The canonical SMILES for [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine is NCC1COCCC1CC(F)(F)F.
What is the InChIKey of [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine?
The InChIKey is YSCFSOFHRAXTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)3-6-1-2-13-5-7(6)4-12/h6-7H,1-5,12H2.
What are the key properties of [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine?
[4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine has a molecular weight of 197.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethyl)oxan-3-yl]methanamine is sourced from PubChem (CID 84774211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).