2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine

C13H18F7NO — CID 162595064

IUPAC2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine
SMILESNC1C(F)C(F)C(C2CCCC(OC(F)(F)F)C2)C(F)C1F
InChIInChI=1S/C13H18F7NO/c14-8-7(9(15)11(17)12(21)10(8)16)5-2-1-3-6(4-5)22-13(18,19)20/h5-12H,1-4,21H2
InChIKeyVLFXHKLQNDJTMI-UHFFFAOYSA-N
MW337.28 g/mol
LogP3.39
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine

2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine (PubChem CID 162595064) has the molecular formula C13H18F7NO and a molecular weight of 337.28 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine
PubChem CID162595064
Molecular FormulaC13H18F7NO
Molecular Weight337.28 g/mol
Exact Mass337.13
IUPAC Name2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine
SMILESNC1C(F)C(F)C(C2CCCC(OC(F)(F)F)C2)C(F)C1F
InChIInChI=1S/C13H18F7NO/c14-8-7(9(15)11(17)12(21)10(8)16)5-2-1-3-6(4-5)22-13(18,19)20/h5-12H,1-4,21H2
InChIKeyVLFXHKLQNDJTMI-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.28
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine (CID 162595064) is 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine is NC1C(F)C(F)C(C2CCCC(OC(F)(F)F)C2)C(F)C1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine?
The InChIKey is VLFXHKLQNDJTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F7NO/c14-8-7(9(15)11(17)12(21)10(8)16)5-2-1-3-6(4-5)22-13(18,19)20/h5-12H,1-4,21H2.
What are the key properties of 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine?
2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine has a molecular weight of 337.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-[3-(trifluoromethoxy)cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 162595064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).