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

C11H19F4NO — CID 43428922

IUPAC[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C11H19F4NO/c1-7-2-3-8(5-16)9(4-7)17-6-11(14,15)10(12)13/h7-10H,2-6,16H2,1H3
InChIKeySODOUJYZJIDOLF-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.67
Rot. Bonds5

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

[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (PubChem CID 43428922) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
PubChem CID43428922
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
SMILESCC1CCC(CN)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C11H19F4NO/c1-7-2-3-8(5-16)9(4-7)17-6-11(14,15)10(12)13/h7-10H,2-6,16H2,1H3
InChIKeySODOUJYZJIDOLF-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.67
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-(Trifluoromethoxy)cyclohexyl]methanamine
CID 140478902
(2-Fluoro-6-methoxycyclohexyl)methanamine
CID 140479012
[3-(1,1,2,2-Tetrafluoroethoxy)cyclohexyl]methanamine
CID 141062729
(5-Fluoro-2-methoxycyclohexyl)methanamine
CID 156542195
[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-Propyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428921

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine (CID 43428922) is [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is CC1CCC(CN)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
The InChIKey is SODOUJYZJIDOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-7-2-3-8(5-16)9(4-7)17-6-11(14,15)10(12)13/h7-10H,2-6,16H2,1H3.
What are the key properties of [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine?
[4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine has a molecular weight of 257.27 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 43428922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).