(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine

C10H17F3N2 — CID 134459118

IUPAC(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCN[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C
InChIInChI=1S/C10H17F3N2/c1-14-8-6-7(10(11,12)13)4-5-9(8)15(2)3/h4,8-9,14H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyUZSYYZSEAVUFML-RKDXNWHRSA-N
MW222.25 g/mol
LogP1.79
Rot. Bonds2

About (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine

(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (PubChem CID 134459118) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.

Molecular Properties

Compound Name(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
PubChem CID134459118
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC Name(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine
SMILESCN[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C
InChIInChI=1S/C10H17F3N2/c1-14-8-6-7(10(11,12)13)4-5-9(8)15(2)3/h4,8-9,14H,5-6H2,1-3H3/t8-,9-/m1/s1
InChIKeyUZSYYZSEAVUFML-RKDXNWHRSA-N
XLogP1.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The IUPAC name of (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine (CID 134459118) is (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine.
What is the SMILES notation for (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The canonical SMILES for (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is CN[C@@H]1CC(C(F)(F)F)=CC[C@H]1N(C)C.
What is the InChIKey of (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
The InChIKey is UZSYYZSEAVUFML-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-14-8-6-7(10(11,12)13)4-5-9(8)15(2)3/h4,8-9,14H,5-6H2,1-3H3/t8-,9-/m1/s1.
What are the key properties of (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine?
(1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine has a molecular weight of 222.25 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-N,1-N,2-N-trimethyl-4-(trifluoromethyl)cyclohex-4-ene-1,2-diamine is sourced from PubChem (CID 134459118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).