[4-(trifluoromethyl)oxan-4-yl]methanamine

C7H12F3NO — CID 82601558

IUPAC[4-(trifluoromethyl)oxan-4-yl]methanamine
SMILESNCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(5-11)1-3-12-4-2-6/h1-5,11H2
InChIKeyDNODNUIZGZZGLQ-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.30
Rot. Bonds1

About [4-(trifluoromethyl)oxan-4-yl]methanamine

[4-(trifluoromethyl)oxan-4-yl]methanamine (PubChem CID 82601558) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [4-(trifluoromethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(trifluoromethyl)oxan-4-yl]methanamine
PubChem CID82601558
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[4-(trifluoromethyl)oxan-4-yl]methanamine
SMILESNCC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(5-11)1-3-12-4-2-6/h1-5,11H2
InChIKeyDNODNUIZGZZGLQ-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(trifluoromethyl)oxan-4-yl]methanamine (CID 82601558) is [4-(trifluoromethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(trifluoromethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(trifluoromethyl)oxan-4-yl]methanamine is NCC1(C(F)(F)F)CCOCC1.
What is the InChIKey of [4-(trifluoromethyl)oxan-4-yl]methanamine?
The InChIKey is DNODNUIZGZZGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(5-11)1-3-12-4-2-6/h1-5,11H2.
What are the key properties of [4-(trifluoromethyl)oxan-4-yl]methanamine?
[4-(trifluoromethyl)oxan-4-yl]methanamine has a molecular weight of 183.17 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 82601558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).