3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol

C8H8ClFN4O — CID 156697605

IUPAC3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol
SMILESOCCCn1cnc2c(Cl)nc(F)nc21
InChIInChI=1S/C8H8ClFN4O/c9-6-5-7(13-8(10)12-6)14(4-11-5)2-1-3-15/h4,15H,1-3H2
InChIKeyCCGCWFXIBWDQDB-UHFFFAOYSA-N
MW230.63 g/mol
LogP1.00
Rot. Bonds3

About 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol

3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol (PubChem CID 156697605) has the molecular formula C8H8ClFN4O and a molecular weight of 230.63 g/mol. Its IUPAC name is 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol
PubChem CID156697605
Molecular FormulaC8H8ClFN4O
Molecular Weight230.63 g/mol
Exact Mass230.04
IUPAC Name3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol
SMILESOCCCn1cnc2c(Cl)nc(F)nc21
InChIInChI=1S/C8H8ClFN4O/c9-6-5-7(13-8(10)12-6)14(4-11-5)2-1-3-15/h4,15H,1-3H2
InChIKeyCCGCWFXIBWDQDB-UHFFFAOYSA-N
XLogP1.00
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol?
The IUPAC name of 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol (CID 156697605) is 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol is OCCCn1cnc2c(Cl)nc(F)nc21.
What is the InChIKey of 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol?
The InChIKey is CCGCWFXIBWDQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFN4O/c9-6-5-7(13-8(10)12-6)14(4-11-5)2-1-3-15/h4,15H,1-3H2.
What are the key properties of 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol?
3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol has a molecular weight of 230.63 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-fluoropurin-9-yl)propan-1-ol is sourced from PubChem (CID 156697605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).