[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine

C9H15F4NO — CID 141062729

IUPAC[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine
SMILESNCC1CCCC(OC(F)(F)C(F)F)C1
InChIInChI=1S/C9H15F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h6-8H,1-5,14H2
InChIKeyBQYXFPLXCXGYSZ-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.38
Rot. Bonds4

About [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine

[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine (PubChem CID 141062729) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine
PubChem CID141062729
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine
SMILESNCC1CCCC(OC(F)(F)C(F)F)C1
InChIInChI=1S/C9H15F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h6-8H,1-5,14H2
InChIKeyBQYXFPLXCXGYSZ-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.38
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-[3-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347142
[4-(Trifluoromethoxy)cyclohexyl]methanamine
CID 137347145
[3-(2,2,2-Trifluoroethoxy)-5-(trifluoromethoxy)cyclohexyl]methanamine
CID 154933101
[4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
CID 43428739
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[4-Methyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428922
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3,3,3-Trifluoro-2-(3-methylcyclohexyl)oxypropan-1-amine
CID 43752965
4,4,4-Trifluoro-3-(3-methylcyclohexyl)oxybutan-1-amine
CID 43753339
3-(3-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 64256346
3-(3,5-Dimethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 64730184
[2-(3,3,3-Trifluoropropoxy)cyclohexyl]methanamine
CID 65836678

Frequently Asked Questions

What is the IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine (CID 141062729) is [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine is NCC1CCCC(OC(F)(F)C(F)F)C1.
What is the InChIKey of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?
The InChIKey is BQYXFPLXCXGYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c10-8(11)9(12,13)15-7-3-1-2-6(4-7)5-14/h6-8H,1-5,14H2.
What are the key properties of [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine?
[3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine has a molecular weight of 229.22 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1,2,2-tetrafluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 141062729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).