2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine

C12H22F3N — CID 106662697

IUPAC2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCCC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-9-7-11(2,3)8-10(9)16-6-4-5-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyGSSWOUFSBYSSTG-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.74
Rot. Bonds4

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

2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine (PubChem CID 106662697) 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-trifluorobutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
PubChem CID106662697
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC Name2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCCCC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-9-7-11(2,3)8-10(9)16-6-4-5-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyGSSWOUFSBYSSTG-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine (CID 106662697) is 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine is CC1CC(C)(C)CC1NCCCC(F)(F)F.
What is the InChIKey of 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
The InChIKey is GSSWOUFSBYSSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-9-7-11(2,3)8-10(9)16-6-4-5-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine has a molecular weight of 237.31 g/mol, XLogP of 3.74, 4 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-trifluorobutyl)cyclopentan-1-amine is sourced from PubChem (CID 106662697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).