[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine

C14H25F4NO — CID 43428926

IUPAC[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C14H25F4NO/c1-13(2,3)10-5-4-9(7-19)11(6-10)20-8-14(17,18)12(15)16/h9-12H,4-8,19H2,1-3H3
InChIKeySXYHLKSMJUIGSR-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.69
Rot. Bonds5

About [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine

[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (PubChem CID 43428926) has the molecular formula C14H25F4NO and a molecular weight of 299.35 g/mol. Its IUPAC name is [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
PubChem CID43428926
Molecular FormulaC14H25F4NO
Molecular Weight299.35 g/mol
Exact Mass299.19
IUPAC Name[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C14H25F4NO/c1-13(2,3)10-5-4-9(7-19)11(6-10)20-8-14(17,18)12(15)16/h9-12H,4-8,19H2,1-3H3
InChIKeySXYHLKSMJUIGSR-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (CID 43428926) is [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The InChIKey is SXYHLKSMJUIGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4NO/c1-13(2,3)10-5-4-9(7-19)11(6-10)20-8-14(17,18)12(15)16/h9-12H,4-8,19H2,1-3H3.
What are the key properties of [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
[4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine has a molecular weight of 299.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).