6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole

C12H12ClFN2O — CID 146270825

IUPAC6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole
SMILESF[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C12H12ClFN2O/c13-8-3-4-10-11(6-8)17-12(15-10)16-5-1-2-9(14)7-16/h3-4,6,9H,1-2,5,7H2/t9-/m1/s1
InChIKeyLFNHASABSQYHEU-SECBINFHSA-N
MW254.69 g/mol
LogP3.42
Rot. Bonds1

About 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole

6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole (PubChem CID 146270825) has the molecular formula C12H12ClFN2O and a molecular weight of 254.69 g/mol. Its IUPAC name is 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole
PubChem CID146270825
Molecular FormulaC12H12ClFN2O
Molecular Weight254.69 g/mol
Exact Mass254.06
IUPAC Name6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole
SMILESF[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1
InChIInChI=1S/C12H12ClFN2O/c13-8-3-4-10-11(6-8)17-12(15-10)16-5-1-2-9(14)7-16/h3-4,6,9H,1-2,5,7H2/t9-/m1/s1
InChIKeyLFNHASABSQYHEU-SECBINFHSA-N
XLogP3.42
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.69
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 6103
CID 6103
CID 647818
CID 647818
CID 714839
CID 714839
CID 40237
CID 40237
CID 590605
CID 590605
CID 9794818
CID 9794818
CID 11224927
CID 11224927
CID 1504182
CID 1504182
CID 1505210
CID 1505210
CID 9350362
CID 9350362
CID 589769
CID 589769
CID 4915226
CID 4915226

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole (CID 146270825) is 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole is F[C@@H]1CCCN(c2nc3ccc(Cl)cc3o2)C1.
What is the InChIKey of 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole?
The InChIKey is LFNHASABSQYHEU-SECBINFHSA-N. The full InChI is InChI=1S/C12H12ClFN2O/c13-8-3-4-10-11(6-8)17-12(15-10)16-5-1-2-9(14)7-16/h3-4,6,9H,1-2,5,7H2/t9-/m1/s1.
What are the key properties of 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole?
6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole has a molecular weight of 254.69 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3R)-3-fluoropiperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 146270825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).