[4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine

C15H27F4NO — CID 43428925

IUPAC[4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C15H27F4NO/c1-4-14(2,3)11-6-5-10(8-20)12(7-11)21-9-15(18,19)13(16)17/h10-13H,4-9,20H2,1-3H3
InChIKeyOJOMKMVUZDGIEV-UHFFFAOYSA-N
MW313.38 g/mol
LogP4.08
Rot. Bonds7

About [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (PubChem CID 43428925) has the molecular formula C15H27F4NO and a molecular weight of 313.38 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
PubChem CID43428925
Molecular FormulaC15H27F4NO
Molecular Weight313.38 g/mol
Exact Mass313.20
IUPAC Name[4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C15H27F4NO/c1-4-14(2,3)11-6-5-10(8-20)12(7-11)21-9-15(18,19)13(16)17/h10-13H,4-9,20H2,1-3H3
InChIKeyOJOMKMVUZDGIEV-UHFFFAOYSA-N
XLogP4.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine with MolForge

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Related Compounds

[4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43329417
[4-Ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43329445
[4-Propyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428737
[4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428738
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428742
[4-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921
[4-Methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428922
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
[4-Tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428926
3,3,3-Trifluoro-2-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 43752924
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (CID 43428925) is [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The InChIKey is OJOMKMVUZDGIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F4NO/c1-4-14(2,3)11-6-5-10(8-20)12(7-11)21-9-15(18,19)13(16)17/h10-13H,4-9,20H2,1-3H3.
What are the key properties of [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine has a molecular weight of 313.38 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).