[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

C16H20F3N3O2 — CID 128964070

IUPAC[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)nc1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)15-20-8-10(9-21-15)14(24)22-7-3-5-12(22)11-4-1-2-6-13(11)23/h8-9,11-13,23H,1-7H2
InChIKeyIVANONPOAQJAIQ-UHFFFAOYSA-N
MW343.35 g/mol
LogP2.65
Rot. Bonds2

About [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone

[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (PubChem CID 128964070) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
PubChem CID128964070
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
SMILESO=C(c1cnc(C(F)(F)F)nc1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C16H20F3N3O2/c17-16(18,19)15-20-8-10(9-21-15)14(24)22-7-3-5-12(22)11-4-1-2-6-13(11)23/h8-9,11-13,23H,1-7H2
InChIKeyIVANONPOAQJAIQ-UHFFFAOYSA-N
XLogP2.65
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone (CID 128964070) is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone.
What is the SMILES notation for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The canonical SMILES for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is O=C(c1cnc(C(F)(F)F)nc1)N1CCCC1C1CCCCC1O.
What is the InChIKey of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
The InChIKey is IVANONPOAQJAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c17-16(18,19)15-20-8-10(9-21-15)14(24)22-7-3-5-12(22)11-4-1-2-6-13(11)23/h8-9,11-13,23H,1-7H2.
What are the key properties of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone?
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone has a molecular weight of 343.35 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone is sourced from PubChem (CID 128964070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).