2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine

C11H18F3NO — CID 106211022

IUPAC2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
SMILESCCC1CC(NC2(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C11H18F3NO/c1-2-9-7-8(3-6-16-9)15-10(4-5-10)11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyNXRIFABHRVVEKC-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.63
Rot. Bonds3

About 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine

2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine (PubChem CID 106211022) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
PubChem CID106211022
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine
SMILESCCC1CC(NC2(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C11H18F3NO/c1-2-9-7-8(3-6-16-9)15-10(4-5-10)11(12,13)14/h8-9,15H,2-7H2,1H3
InChIKeyNXRIFABHRVVEKC-UHFFFAOYSA-N
XLogP2.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 29077847
(2R)-2-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine
CID 29077849
2-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidine
CID 43149931
2-[2-(2,2-Difluoroethoxy)ethyl]piperidine
CID 62343986
2-propyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102493
2-ethyl-2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102494
2-ethyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102694
2-methyl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102695
2-propan-2-yl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102696
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102730
2-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxan-4-amine
CID 64102913
2-propyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106097

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
The IUPAC name of 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine (CID 106211022) is 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine.
What is the SMILES notation for 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
The canonical SMILES for 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine is CCC1CC(NC2(C(F)(F)F)CC2)CCO1.
What is the InChIKey of 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
The InChIKey is NXRIFABHRVVEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-9-7-8(3-6-16-9)15-10(4-5-10)11(12,13)14/h8-9,15H,2-7H2,1H3.
What are the key properties of 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine?
2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine has a molecular weight of 237.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(trifluoromethyl)cyclopropyl]oxan-4-amine is sourced from PubChem (CID 106211022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).