N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine

C16H28F3NO — CID 43435248

IUPACN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine
SMILESFC(F)(F)COC1CCCC(NC2CCCCCCC2)C1
InChIInChI=1S/C16H28F3NO/c17-16(18,19)12-21-15-10-6-9-14(11-15)20-13-7-4-2-1-3-5-8-13/h13-15,20H,1-12H2
InChIKeyHPDOVTZJNKZCQS-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.58
Rot. Bonds4

About N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine (PubChem CID 43435248) has the molecular formula C16H28F3NO and a molecular weight of 307.40 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine
PubChem CID43435248
Molecular FormulaC16H28F3NO
Molecular Weight307.40 g/mol
Exact Mass307.21
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine
SMILESFC(F)(F)COC1CCCC(NC2CCCCCCC2)C1
InChIInChI=1S/C16H28F3NO/c17-16(18,19)12-21-15-10-6-9-14(11-15)20-13-7-4-2-1-3-5-8-13/h13-15,20H,1-12H2
InChIKeyHPDOVTZJNKZCQS-UHFFFAOYSA-N
XLogP4.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine (CID 43435248) is N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine is FC(F)(F)COC1CCCC(NC2CCCCCCC2)C1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine?
The InChIKey is HPDOVTZJNKZCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F3NO/c17-16(18,19)12-21-15-10-6-9-14(11-15)20-13-7-4-2-1-3-5-8-13/h13-15,20H,1-12H2.
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine?
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine has a molecular weight of 307.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclooctanamine is sourced from PubChem (CID 43435248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).