2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol

C10H10ClF3N2O2 — CID 170640145

IUPAC2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol
SMILESOC1CCCC1Oc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c11-9-15-4-5(10(12,13)14)8(16-9)18-7-3-1-2-6(7)17/h4,6-7,17H,1-3H2
InChIKeyPDKALUSISNMPAT-UHFFFAOYSA-N
MW282.65 g/mol
LogP2.44
Rot. Bonds2

About 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol

2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol (PubChem CID 170640145) has the molecular formula C10H10ClF3N2O2 and a molecular weight of 282.65 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol
PubChem CID170640145
Molecular FormulaC10H10ClF3N2O2
Molecular Weight282.65 g/mol
Exact Mass282.04
IUPAC Name2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol
SMILESOC1CCCC1Oc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2O2/c11-9-15-4-5(10(12,13)14)8(16-9)18-7-3-1-2-6(7)17/h4,6-7,17H,1-3H2
InChIKeyPDKALUSISNMPAT-UHFFFAOYSA-N
XLogP2.44
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.65
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propan-2-yloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282358
2-Cyclohexyloxy-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 140282361
2-chloro-4-[(2R)-1-methoxypropan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
CID 58467956
2-chloro-4-[(2R)-3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
CID 58467963
2-Chloro-4-(1-methoxypropan-2-yloxy)-5-(trifluoromethyl)pyrimidine
CID 76795193
2-Chloro-4-[3-methyl-3-(oxan-2-yloxy)butan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
CID 76795199
2-Chloro-5-fluoro-4-(tetrahydrofuran-3-yloxy)pyrimidine
CID 79081625
2-chloro-4-[3-methyl-3-[(2R)-oxan-2-yl]oxybutan-2-yl]oxy-5-(trifluoromethyl)pyrimidine
CID 87345133
(2R,3R)-3-[2-amino-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
CID 118424172
2-Chloro-4-cyclobutoxy-5-trifluoromethyl-pyrimidine
CID 119054302
2-Chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine;oxetan-3-ol
CID 139534886
2-Chloro-4-(oxetan-3-yloxy)-5-(trifluoromethyl)pyrimidine
CID 139534887

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol (CID 170640145) is 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol is OC1CCCC1Oc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol?
The InChIKey is PDKALUSISNMPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O2/c11-9-15-4-5(10(12,13)14)8(16-9)18-7-3-1-2-6(7)17/h4,6-7,17H,1-3H2.
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol?
2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol has a molecular weight of 282.65 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol is sourced from PubChem (CID 170640145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).