2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine

C11H20F3N — CID 104924853

IUPAC2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine
SMILESCCC1CC1NC(C)CCCC(F)(F)F
InChIInChI=1S/C11H20F3N/c1-3-9-7-10(9)15-8(2)5-4-6-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyCHMAENDQSRLKIK-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.50
Rot. Bonds6

About 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine

2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine (PubChem CID 104924853) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine
PubChem CID104924853
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine
SMILESCCC1CC1NC(C)CCCC(F)(F)F
InChIInChI=1S/C11H20F3N/c1-3-9-7-10(9)15-8(2)5-4-6-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyCHMAENDQSRLKIK-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine?
The IUPAC name of 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine (CID 104924853) is 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine?
The canonical SMILES for 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine is CCC1CC1NC(C)CCCC(F)(F)F.
What is the InChIKey of 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine?
The InChIKey is CHMAENDQSRLKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-3-9-7-10(9)15-8(2)5-4-6-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine?
2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(6,6,6-trifluorohexan-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 104924853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).