N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine

C9H13F4NO — CID 154531795

IUPACN-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine
SMILESCNC1CCC=C(OC(F)(F)C(F)F)C1
InChIInChI=1S/C9H13F4NO/c1-14-6-3-2-4-7(5-6)15-9(12,13)8(10)11/h4,6,8,14H,2-3,5H2,1H3
InChIKeyBCJDPLWQOYJRDR-UHFFFAOYSA-N
MW227.20 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine

N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine (PubChem CID 154531795) has the molecular formula C9H13F4NO and a molecular weight of 227.20 g/mol. Its IUPAC name is N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine
PubChem CID154531795
Molecular FormulaC9H13F4NO
Molecular Weight227.20 g/mol
Exact Mass227.09
IUPAC NameN-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine
SMILESCNC1CCC=C(OC(F)(F)C(F)F)C1
InChIInChI=1S/C9H13F4NO/c1-14-6-3-2-4-7(5-6)15-9(12,13)8(10)11/h4,6,8,14H,2-3,5H2,1H3
InChIKeyBCJDPLWQOYJRDR-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine?
The IUPAC name of N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine (CID 154531795) is N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine.
What is the SMILES notation for N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine?
The canonical SMILES for N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine is CNC1CCC=C(OC(F)(F)C(F)F)C1.
What is the InChIKey of N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine?
The InChIKey is BCJDPLWQOYJRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO/c1-14-6-3-2-4-7(5-6)15-9(12,13)8(10)11/h4,6,8,14H,2-3,5H2,1H3.
What are the key properties of N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine?
N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine has a molecular weight of 227.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,1,2,2-tetrafluoroethoxy)cyclohex-3-en-1-amine is sourced from PubChem (CID 154531795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).