2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine

C11H19F4N — CID 107095611

IUPAC2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4N/c1-7-4-10(2,3)5-8(7)16-6-11(14,15)9(12)13/h7-9,16H,4-6H2,1-3H3
InChIKeyZCBZAEIIZIFBRU-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.30
Rot. Bonds4

About 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine

2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine (PubChem CID 107095611) has the molecular formula C11H19F4N and a molecular weight of 241.27 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
PubChem CID107095611
Molecular FormulaC11H19F4N
Molecular Weight241.27 g/mol
Exact Mass241.15
IUPAC Name2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine
SMILESCC1CC(C)(C)CC1NCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4N/c1-7-4-10(2,3)5-8(7)16-6-11(14,15)9(12)13/h7-9,16H,4-6H2,1-3H3
InChIKeyZCBZAEIIZIFBRU-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine (CID 107095611) is 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine is CC1CC(C)(C)CC1NCC(F)(F)C(F)F.
What is the InChIKey of 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine?
The InChIKey is ZCBZAEIIZIFBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4N/c1-7-4-10(2,3)5-8(7)16-6-11(14,15)9(12)13/h7-9,16H,4-6H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine?
2,4,4-trimethyl-N-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine has a molecular weight of 241.27 g/mol, XLogP of 3.30, 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-(2,2,3,3-tetrafluoropropyl)cyclopentan-1-amine is sourced from PubChem (CID 107095611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).