4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine

C11H19F3N2 — CID 62807258

IUPAC4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)7-16(10-5-6-10)9-3-1-8(15)2-4-9/h8-10H,1-7,15H2
InChIKeyYNRWHFYGEHOQHH-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.28
Rot. Bonds3

About 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine

4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine (PubChem CID 62807258) has the molecular formula C11H19F3N2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
PubChem CID62807258
Molecular FormulaC11H19F3N2
Molecular Weight236.28 g/mol
Exact Mass236.15
IUPAC Name4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
SMILESNC1CCC(N(CC(F)(F)F)C2CC2)CC1
InChIInChI=1S/C11H19F3N2/c12-11(13,14)7-16(10-5-6-10)9-3-1-8(15)2-4-9/h8-10H,1-7,15H2
InChIKeyYNRWHFYGEHOQHH-UHFFFAOYSA-N
XLogP2.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine (CID 62807258) is 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine is NC1CCC(N(CC(F)(F)F)C2CC2)CC1.
What is the InChIKey of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The InChIKey is YNRWHFYGEHOQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2/c12-11(13,14)7-16(10-5-6-10)9-3-1-8(15)2-4-9/h8-10H,1-7,15H2.
What are the key properties of 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine has a molecular weight of 236.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62807258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).