N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

C8H15ClF3N — CID 86011900

IUPACN-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCNC1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C8H14F3N.ClH/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h6-7,12H,2-5H2,1H3;1H
InChIKeyOFEWYOQULJROCO-UHFFFAOYSA-N
MW217.66 g/mol
LogP2.75
Rot. Bonds1

About N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride

N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (PubChem CID 86011900) has the molecular formula C8H15ClF3N and a molecular weight of 217.66 g/mol. Its IUPAC name is N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
PubChem CID86011900
Molecular FormulaC8H15ClF3N
Molecular Weight217.66 g/mol
Exact Mass217.08
IUPAC NameN-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
SMILESCNC1CCC(C(F)(F)F)CC1.Cl
InChIInChI=1S/C8H14F3N.ClH/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h6-7,12H,2-5H2,1H3;1H
InChIKeyOFEWYOQULJROCO-UHFFFAOYSA-N
XLogP2.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The IUPAC name of N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride (CID 86011900) is N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The canonical SMILES for N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is CNC1CCC(C(F)(F)F)CC1.Cl.
What is the InChIKey of N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
The InChIKey is OFEWYOQULJROCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N.ClH/c1-12-7-4-2-6(3-5-7)8(9,10)11;/h6-7,12H,2-5H2,1H3;1H.
What are the key properties of N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride?
N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(trifluoromethyl)cyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 86011900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).