3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine

C12H22F3N — CID 114543830

IUPAC3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine
SMILESCC1CCC(NC(C)CCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-9-5-6-11(8-9)16-10(2)4-3-7-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyCDYCHBVEYMUDEC-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.89
Rot. Bonds5

About 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine

3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine (PubChem CID 114543830) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine
PubChem CID114543830
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine
SMILESCC1CCC(NC(C)CCCC(F)(F)F)C1
InChIInChI=1S/C12H22F3N/c1-9-5-6-11(8-9)16-10(2)4-3-7-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyCDYCHBVEYMUDEC-UHFFFAOYSA-N
XLogP3.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine (CID 114543830) is 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine is CC1CCC(NC(C)CCCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine?
The InChIKey is CDYCHBVEYMUDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-9-5-6-11(8-9)16-10(2)4-3-7-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine?
3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6,6,6-trifluorohexan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 114543830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).