4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

C13H23F4NO — CID 45283043

IUPAC4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C13H23F4NO/c1-12(2,3)8-4-5-9(18)10(6-8)19-7-13(16,17)11(14)15/h8-11H,4-7,18H2,1-3H3
InChIKeySHAKTXHRBYKLKG-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.45
Rot. Bonds4

About 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (PubChem CID 45283043) has the molecular formula C13H23F4NO and a molecular weight of 285.33 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
PubChem CID45283043
Molecular FormulaC13H23F4NO
Molecular Weight285.33 g/mol
Exact Mass285.17
IUPAC Name4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCC(C)(C)C1CCC(N)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C13H23F4NO/c1-12(2,3)8-4-5-9(18)10(6-8)19-7-13(16,17)11(14)15/h8-11H,4-7,18H2,1-3H3
InChIKeySHAKTXHRBYKLKG-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-5-(4-fluoro-2,4-dimethylpentan-2-yl)cyclohexan-1-ol
CID 137507631
4-[4-Amino-3-(trifluoromethoxy)cyclohexyl]-2-(trifluoromethoxy)cyclohexan-1-amine
CID 140420304
3-Fluoro-5-(4-methylcyclohexyl)-2-(1,2,2,2-tetrafluoroethoxy)cyclohexan-1-amine
CID 141816132
4-[3-(1,1-Difluoroethoxy)cyclohexyl]-2,6-difluorocyclohexan-1-amine
CID 144304617
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16784604
4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16786580
[4-(2-Methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428925
[4-Tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428926
4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 45253458
4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 45283046
4-Methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
CID 45283088

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (CID 45283043) is 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is CC(C)(C)C1CCC(N)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The InChIKey is SHAKTXHRBYKLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO/c1-12(2,3)8-4-5-9(18)10(6-8)19-7-13(16,17)11(14)15/h8-11H,4-7,18H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
4-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 3.45, 4 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)cyclohexan-1-amine is sourced from PubChem (CID 45283043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).