N-ethyl-4-(trifluoromethyl)oxan-4-amine

C8H14F3NO — CID 66204557

IUPACN-ethyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO/c1-2-12-7(8(9,10)11)3-5-13-6-4-7/h12H,2-6H2,1H3
InChIKeyNVSREPQQIFPCER-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds2

About N-ethyl-4-(trifluoromethyl)oxan-4-amine

N-ethyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66204557) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-ethyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66204557
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-ethyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO/c1-2-12-7(8(9,10)11)3-5-13-6-4-7/h12H,2-6H2,1H3
InChIKeyNVSREPQQIFPCER-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 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 ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-ethyl-4-(trifluoromethyl)oxan-4-amine (CID 66204557) is N-ethyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-ethyl-4-(trifluoromethyl)oxan-4-amine is CCNC1(C(F)(F)F)CCOCC1.
What is the InChIKey of N-ethyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is NVSREPQQIFPCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-12-7(8(9,10)11)3-5-13-6-4-7/h12H,2-6H2,1H3.
What are the key properties of N-ethyl-4-(trifluoromethyl)oxan-4-amine?
N-ethyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66204557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).