[3-(trifluoromethyl)cyclohexyl]azanium chloride

C7H13ClF3N — CID 68970808

IUPAC[3-(trifluoromethyl)cyclohexyl]azanium chloride
SMILES[Cl-].[NH3+]C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h5-6H,1-4,11H2;1H
InChIKeyRCSIEAABDZVSPX-UHFFFAOYSA-N
MW203.63 g/mol
LogP-1.65
Rot. Bonds

About [3-(trifluoromethyl)cyclohexyl]azanium chloride

[3-(trifluoromethyl)cyclohexyl]azanium chloride (PubChem CID 68970808) has the molecular formula C7H13ClF3N and a molecular weight of 203.63 g/mol. Its IUPAC name is [3-(trifluoromethyl)cyclohexyl]azanium chloride.

Molecular Properties

Compound Name[3-(trifluoromethyl)cyclohexyl]azanium chloride
PubChem CID68970808
Molecular FormulaC7H13ClF3N
Molecular Weight203.63 g/mol
Exact Mass203.07
IUPAC Name[3-(trifluoromethyl)cyclohexyl]azanium chloride
SMILES[Cl-].[NH3+]C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C7H12F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h5-6H,1-4,11H2;1H
InChIKeyRCSIEAABDZVSPX-UHFFFAOYSA-N
XLogP-1.65
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)cyclohexyl]azanium chloride?
The IUPAC name of [3-(trifluoromethyl)cyclohexyl]azanium chloride (CID 68970808) is [3-(trifluoromethyl)cyclohexyl]azanium chloride.
What is the SMILES notation for [3-(trifluoromethyl)cyclohexyl]azanium chloride?
The canonical SMILES for [3-(trifluoromethyl)cyclohexyl]azanium chloride is [Cl-].[NH3+]C1CCCC(C(F)(F)F)C1.
What is the InChIKey of [3-(trifluoromethyl)cyclohexyl]azanium chloride?
The InChIKey is RCSIEAABDZVSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3N.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h5-6H,1-4,11H2;1H.
What are the key properties of [3-(trifluoromethyl)cyclohexyl]azanium chloride?
[3-(trifluoromethyl)cyclohexyl]azanium chloride has a molecular weight of 203.63 g/mol, XLogP of -1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)cyclohexyl]azanium chloride is sourced from PubChem (CID 68970808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).