2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine

C12H22F3N — CID 107094015

IUPAC2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
SMILESCC(CC(F)(F)F)NC1CC(C)(C)CC1C
InChIInChI=1S/C12H22F3N/c1-8-5-11(3,4)7-10(8)16-9(2)6-12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyKEXQXXYDKCCKQL-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds3

About 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine

2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine (PubChem CID 107094015) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
PubChem CID107094015
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine
SMILESCC(CC(F)(F)F)NC1CC(C)(C)CC1C
InChIInChI=1S/C12H22F3N/c1-8-5-11(3,4)7-10(8)16-9(2)6-12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyKEXQXXYDKCCKQL-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine (CID 107094015) is 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine is CC(CC(F)(F)F)NC1CC(C)(C)CC1C.
What is the InChIKey of 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
The InChIKey is KEXQXXYDKCCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-8-5-11(3,4)7-10(8)16-9(2)6-12(13,14)15/h8-10,16H,5-7H2,1-4H3.
What are the key properties of 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(4,4,4-trifluorobutan-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 107094015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).