1-(2,2,2-trifluoroethyl)cyclooctan-1-amine

C10H18F3N — CID 130515486

IUPAC1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
SMILESNC1(CC(F)(F)F)CCCCCCC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)8-9(14)6-4-2-1-3-5-7-9/h1-8,14H2
InChIKeyJHOLJZMYYFBYHV-UHFFFAOYSA-N
MW209.25 g/mol
LogP3.38
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine

1-(2,2,2-trifluoroethyl)cyclooctan-1-amine (PubChem CID 130515486) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
PubChem CID130515486
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name1-(2,2,2-trifluoroethyl)cyclooctan-1-amine
SMILESNC1(CC(F)(F)F)CCCCCCC1
InChIInChI=1S/C10H18F3N/c11-10(12,13)8-9(14)6-4-2-1-3-5-7-9/h1-8,14H2
InChIKeyJHOLJZMYYFBYHV-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 82413873
3-(2,2,2-trifluoroethyl)oxan-3-amine
CID 105440417
1,1-dioxo-3-(2,2,2-trifluoroethyl)thiolan-3-amine
CID 105470640
1-(2-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 130702752
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanamine
CID 105439345
1-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62968799
1-(bromomethyl)cyclopentan-1-amine
CID 518855
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
1-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
1-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
CID 55009113
1-[2-[(1-aminocyclohexyl)methoxy]propan-2-yloxymethyl]cyclohexan-1-amine
CID 137411601
(1-aminocyclodecyl)methanol
CID 66910735

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine (CID 130515486) is 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine is NC1(CC(F)(F)F)CCCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine?
The InChIKey is JHOLJZMYYFBYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N/c11-10(12,13)8-9(14)6-4-2-1-3-5-7-9/h1-8,14H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine?
1-(2,2,2-trifluoroethyl)cyclooctan-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)cyclooctan-1-amine is sourced from PubChem (CID 130515486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).