2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C13H16F5N3 — CID 86716391

IUPAC2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H16F5N3/c14-12(15)3-1-8(2-4-12)10(5-19)9-6-20-11(21-7-9)13(16,17)18/h6-8,10H,1-5,19H2
InChIKeyCXCZPHUOZMSYCT-UHFFFAOYSA-N
MW309.28 g/mol
LogP3.36
Rot. Bonds3

About 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 86716391) has the molecular formula C13H16F5N3 and a molecular weight of 309.28 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID86716391
Molecular FormulaC13H16F5N3
Molecular Weight309.28 g/mol
Exact Mass309.13
IUPAC Name2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESNCC(c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1
InChIInChI=1S/C13H16F5N3/c14-12(15)3-1-8(2-4-12)10(5-19)9-6-20-11(21-7-9)13(16,17)18/h6-8,10H,1-5,19H2
InChIKeyCXCZPHUOZMSYCT-UHFFFAOYSA-N
XLogP3.36
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclohexylpyrimidin-2-amine
CID 13163993
5-(Piperidin-4-yl)pyrimidine
CID 24904194
2-Pyrimidin-5-yl-7-azabicyclo[2.2.1]heptane
CID 49823864
2-Chloro-5-(cyclohexyl)pyrimidine
CID 66520029
5-(4-Fluoropiperidin-4-yl)pyrimidine dihydrochloride
CID 102551689
5-Heptyl-2-methylpyrimidine
CID 13660600
2-[4-(2-Fluoroethyl)cyclohexyl]-5-pentylpyrimidine
CID 18344186
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine
CID 18344201
trans-5-(4-Pentylcyclohexyl)-2-pyrimidinecarbonitrile
CID 19380481
5-(4-Butylcyclohexyl)pyrimidine-2-carbonitrile
CID 19380532
2-Ethyl-5-[4-(trifluoromethyl)cyclohexyl]pyrimidine
CID 19763102
5-[4-(4-Propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
CID 21747371

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 86716391) is 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is NCC(c1cnc(C(F)(F)F)nc1)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is CXCZPHUOZMSYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F5N3/c14-12(15)3-1-8(2-4-12)10(5-19)9-6-20-11(21-7-9)13(16,17)18/h6-8,10H,1-5,19H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 309.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 86716391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).