4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile

C9H13F3N2 — CID 123454692

IUPAC4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCNC1CCC(C#N)CC1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h6-8,14H,2-4H2,1H3
InChIKeyPLZTVLFWUIQACI-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.08
Rot. Bonds1

About 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile

4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (PubChem CID 123454692) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
PubChem CID123454692
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile
SMILESCNC1CCC(C#N)CC1C(F)(F)F
InChIInChI=1S/C9H13F3N2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h6-8,14H,2-4H2,1H3
InChIKeyPLZTVLFWUIQACI-UHFFFAOYSA-N
XLogP2.08
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile (CID 123454692) is 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is CNC1CCC(C#N)CC1C(F)(F)F.
What is the InChIKey of 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
The InChIKey is PLZTVLFWUIQACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2/c1-14-8-3-2-6(5-13)4-7(8)9(10,11)12/h6-8,14H,2-4H2,1H3.
What are the key properties of 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile?
4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile has a molecular weight of 206.21 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-3-(trifluoromethyl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 123454692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).