4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol

C10H10F2N2O — CID 165491944

IUPAC4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol
SMILESOC1(c2cncnc2)C=CC(F)(F)CC1
InChIInChI=1S/C10H10F2N2O/c11-10(12)3-1-9(15,2-4-10)8-5-13-7-14-6-8/h1,3,5-7,15H,2,4H2
InChIKeyMMYVTISGLNPCTE-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.65
Rot. Bonds1

About 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol

4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol (PubChem CID 165491944) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol
PubChem CID165491944
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol
SMILESOC1(c2cncnc2)C=CC(F)(F)CC1
InChIInChI=1S/C10H10F2N2O/c11-10(12)3-1-9(15,2-4-10)8-5-13-7-14-6-8/h1,3,5-7,15H,2,4H2
InChIKeyMMYVTISGLNPCTE-UHFFFAOYSA-N
XLogP1.65
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-pyrimidin-5-ylcyclopentan-1-ol
CID 14434910
1-(4-bromothiophen-3-yl)-4,4-difluorocyclohex-2-en-1-ol
CID 165497656
1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756517
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
5-(1-methylcyclopropyl)pyrimidine
CID 134554594
8-pyrimidin-5-yl-1,4-dioxaspiro[4.5]decan-8-ol
CID 59556106
1-methyl-3-pyrimidin-5-ylazetidin-3-ol
CID 83815858
1-butyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497636
5-(1-chlorocyclohexyl)pyrimidine
CID 174403358
1-cyclobutyl-4,4-difluorocyclohex-2-en-1-ol
CID 165497640
4,4-difluoro-1-prop-1-ynylcyclohex-2-en-1-ol
CID 165497651
4-(2-methylbutan-2-yl)-1-pyrimidin-5-ylcyclohexan-1-ol
CID 55078560

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol?
The IUPAC name of 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol (CID 165491944) is 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol?
The canonical SMILES for 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol is OC1(c2cncnc2)C=CC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol?
The InChIKey is MMYVTISGLNPCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-10(12)3-1-9(15,2-4-10)8-5-13-7-14-6-8/h1,3,5-7,15H,2,4H2.
What are the key properties of 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol?
4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol has a molecular weight of 212.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-pyrimidin-5-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 165491944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).