N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

C11H22F3NO — CID 66274568

IUPACN-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCNC(COC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-6-15-9(10(3,4)5)7-16-8(2)11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeySSNRQFYKYXAYNL-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds5

About N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine

N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (PubChem CID 66274568) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
PubChem CID66274568
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC NameN-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine
SMILESCCNC(COC(C)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-6-15-9(10(3,4)5)7-16-8(2)11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeySSNRQFYKYXAYNL-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine (CID 66274568) is N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is CCNC(COC(C)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
The InChIKey is SSNRQFYKYXAYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-6-15-9(10(3,4)5)7-16-8(2)11(12,13)14/h8-9,15H,6-7H2,1-5H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yloxy)butan-2-amine is sourced from PubChem (CID 66274568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).