2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol

C11H12ClF3N4O — CID 123585967

IUPAC2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
SMILESOC1N(CC(F)(F)F)c2cnc(Cl)nc2NC12CCC2
InChIInChI=1S/C11H12ClF3N4O/c12-9-16-4-6-7(17-9)18-10(2-1-3-10)8(20)19(6)5-11(13,14)15/h4,8,20H,1-3,5H2,(H,16,17,18)
InChIKeyAXCOCRMEFPTHPW-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.17
Rot. Bonds1

About 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol

2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol (PubChem CID 123585967) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol.

Molecular Properties

Compound Name2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
PubChem CID123585967
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol
SMILESOC1N(CC(F)(F)F)c2cnc(Cl)nc2NC12CCC2
InChIInChI=1S/C11H12ClF3N4O/c12-9-16-4-6-7(17-9)18-10(2-1-3-10)8(20)19(6)5-11(13,14)15/h4,8,20H,1-3,5H2,(H,16,17,18)
InChIKeyAXCOCRMEFPTHPW-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol with MolForge

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Related Compounds

2-chloro-8-methyl-5-(2,2,2-trifluoroethyl)spiro[6H-pteridine-7,1'-cyclobutane]-6-ol
CID 123520023
2-chloro-5-(2,2-difluoroethyl)-7,8,10,11-tetrahydro-6H-pyrimido[4,5-d][1,3,6]oxadiazonin-6-ol
CID 123707786
2,4-dichloro-5-[1-(trifluoromethyl)cyclopropyl]pyrimidine
CID 166636813
3-butyl-4-hydroxy-1,3-diazaspiro[4.6]undecan-2-one
CID 13436733
13-chloro-5,9-dimethyl-2-(2,2,2-trifluoroethyl)-4-thia-2,6,9,12,14-pentazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),5,10,12-pentaen-8-one
CID 155287660
8-methyl-9-(2,2,2-trifluoroethyl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64887442
2,5-dichloro-N-(3,3,3-trifluoropropyl)pyrimidin-4-amine
CID 79632100
4-[[2-chloro-5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrimidin-4-yl]amino]-1-methylcyclohexan-1-ol
CID 167425896
7-chloro-4-ethyl-1-methyl-5-(3,3,3-trifluoropropyl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 87223240
3-(5-chloro-1,3-thiazol-2-yl)-3-oxido-1-(2,2,2-trifluoroethyl)imidazolidin-3-ium-4-ol
CID 88808131
3-(2-chloro-4-methylpyrimidin-5-yl)-8-ethyl-8-(3-fluorophenyl)-1,3-diazaspiro[4.5]decan-2-one
CID 170235847
5-ethyl-6-(2,2,2-trifluoroethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83251449

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol?
The IUPAC name of 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol (CID 123585967) is 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol.
What is the SMILES notation for 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol?
The canonical SMILES for 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol is OC1N(CC(F)(F)F)c2cnc(Cl)nc2NC12CCC2.
What is the InChIKey of 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol?
The InChIKey is AXCOCRMEFPTHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c12-9-16-4-6-7(17-9)18-10(2-1-3-10)8(20)19(6)5-11(13,14)15/h4,8,20H,1-3,5H2,(H,16,17,18).
What are the key properties of 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol?
2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol has a molecular weight of 308.69 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2,2-trifluoroethyl)spiro[6,8-dihydropteridine-7,1'-cyclobutane]-6-ol is sourced from PubChem (CID 123585967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).