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

C13H23F4NO — CID 43428921

IUPAC[4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C13H23F4NO/c1-2-3-9-4-5-10(7-18)11(6-9)19-8-13(16,17)12(14)15/h9-12H,2-8,18H2,1H3
InChIKeyJHGLPLOUQHIDQZ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.45
Rot. Bonds7

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

[4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (PubChem CID 43428921) has the molecular formula C13H23F4NO and a molecular weight of 285.32 g/mol. Its IUPAC name is [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
PubChem CID43428921
Molecular FormulaC13H23F4NO
Molecular Weight285.32 g/mol
Exact Mass285.17
IUPAC Name[4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C13H23F4NO/c1-2-3-9-4-5-10(7-18)11(6-9)19-8-13(16,17)12(14)15/h9-12H,2-8,18H2,1H3
InChIKeyJHGLPLOUQHIDQZ-UHFFFAOYSA-N
XLogP3.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
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

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-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
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[4-(2-Methylbutan-2-yl)-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428742
[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-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (CID 43428921) is [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is CCCC1CCC(CN)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The InChIKey is JHGLPLOUQHIDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F4NO/c1-2-3-9-4-5-10(7-18)11(6-9)19-8-13(16,17)12(14)15/h9-12H,2-8,18H2,1H3.
What are the key properties of [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
[4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).