[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine

C9H16F3NO2 — CID 106706050

IUPAC[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine
SMILESNCC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-8(5-13)1-3-14-4-2-8/h1-7,13H2
InChIKeyZWSZYIDKPVVWCQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds4

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

[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine (PubChem CID 106706050) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine
PubChem CID106706050
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine
SMILESNCC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-8(5-13)1-3-14-4-2-8/h1-7,13H2
InChIKeyZWSZYIDKPVVWCQ-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(Methoxymethyl)oxan-4-yl]methanamine hydrochloride
CID 86277235
[4-(1,1-Difluoroethyl)oxan-4-yl]methanamine hydrochloride
CID 132391452
(4-(Trifluoromethyl)oxan-4-yl)methanamine hydrochloride
CID 139026538
1-(4-(Difluoromethyl)oxan-4-yl)methanamine hydrochloride
CID 165694145
[4-(Methoxymethyl)oxan-4-yl]methanamine
CID 82229626
[4-(Difluoromethoxymethyl)oxan-4-yl]methanamine
CID 130194717
4,4,4-Trifluoro-3-(oxan-4-ylmethoxy)butan-1-amine
CID 62383529
2,2-Diethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723504
2-Ethyl-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724515
[3-[2-(2,2,2-Trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
CID 62725318
[4-[2-(2,2,2-Trifluoroethoxy)ethyl]oxan-4-yl]methanamine
CID 62906084
[4-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-4-yl]methanamine
CID 62906601

Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine (CID 106706050) is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine is NCC1(COCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine?
The InChIKey is ZWSZYIDKPVVWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7-15-6-8(5-13)1-3-14-4-2-8/h1-7,13H2.
What are the key properties of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine?
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine has a molecular weight of 227.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 106706050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).