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

C12H21F4NO — CID 43329445

IUPAC[4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C12H21F4NO/c1-2-8-3-4-9(6-17)10(5-8)18-7-12(15,16)11(13)14/h8-11H,2-7,17H2,1H3
InChIKeyKHORKOGYNIRQAI-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.06
Rot. Bonds6

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

[4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (PubChem CID 43329445) has the molecular formula C12H21F4NO and a molecular weight of 271.30 g/mol. Its IUPAC name is [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
PubChem CID43329445
Molecular FormulaC12H21F4NO
Molecular Weight271.30 g/mol
Exact Mass271.16
IUPAC Name[4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCCC1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C12H21F4NO/c1-2-8-3-4-9(6-17)10(5-8)18-7-12(15,16)11(13)14/h8-11H,2-7,17H2,1H3
InChIKeyKHORKOGYNIRQAI-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.06
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

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-[3-(1,1-Difluoroethoxy)cyclohexyl]-2,6-difluorocyclohexan-1-amine
CID 144304617
[4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43329417
[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
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[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-(2-Methylbutan-2-yl)-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428925

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (CID 43329445) is [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is CCC1CCC(CN)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The InChIKey is KHORKOGYNIRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO/c1-2-8-3-4-9(6-17)10(5-8)18-7-12(15,16)11(13)14/h8-11H,2-7,17H2,1H3.
What are the key properties of [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
[4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine has a molecular weight of 271.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43329445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).