2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine

C12H17FN2 — CID 164652133

IUPAC2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine
SMILESCC1(C)CCC(c2nccc(F)n2)CC1
InChIInChI=1S/C12H17FN2/c1-12(2)6-3-9(4-7-12)11-14-8-5-10(13)15-11/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyYZWSBSJILSGNDN-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.30
Rot. Bonds1

About 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine

2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine (PubChem CID 164652133) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine
PubChem CID164652133
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine
SMILESCC1(C)CCC(c2nccc(F)n2)CC1
InChIInChI=1S/C12H17FN2/c1-12(2)6-3-9(4-7-12)11-14-8-5-10(13)15-11/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyYZWSBSJILSGNDN-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine (CID 164652133) is 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine is CC1(C)CCC(c2nccc(F)n2)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine?
The InChIKey is YZWSBSJILSGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(2)6-3-9(4-7-12)11-14-8-5-10(13)15-11/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine?
2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine has a molecular weight of 208.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-4-fluoropyrimidine is sourced from PubChem (CID 164652133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).