4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine

C12H23F3N2O — CID 79111597

IUPAC4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCCN(CCOC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C12H23F3N2O/c1-2-7-17(8-9-18-12(13,14)15)11-5-3-10(16)4-6-11/h10-11H,2-9,16H2,1H3
InChIKeyMDUVXCSQIBPQOR-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.50
Rot. Bonds6

About 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine

4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79111597) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
PubChem CID79111597
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
SMILESCCCN(CCOC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C12H23F3N2O/c1-2-7-17(8-9-18-12(13,14)15)11-5-3-10(16)4-6-11/h10-11H,2-9,16H2,1H3
InChIKeyMDUVXCSQIBPQOR-UHFFFAOYSA-N
XLogP2.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine (CID 79111597) is 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is CCCN(CCOC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
The InChIKey is MDUVXCSQIBPQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-2-7-17(8-9-18-12(13,14)15)11-5-3-10(16)4-6-11/h10-11H,2-9,16H2,1H3.
What are the key properties of 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine?
4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79111597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).