(3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C9H15F2NO — CID 131101584

IUPAC(3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESFC(F)CN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C9H15F2NO/c10-9(11)6-12-3-1-8-7(5-12)2-4-13-8/h7-9H,1-6H2/t7-,8+/m0/s1
InChIKeyKYXXABPPJIOYDH-JGVFFNPUSA-N
MW191.22 g/mol
LogP1.36
Rot. Bonds2

About (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

(3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 131101584) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID131101584
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name(3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESFC(F)CN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C9H15F2NO/c10-9(11)6-12-3-1-8-7(5-12)2-4-13-8/h7-9H,1-6H2/t7-,8+/m0/s1
InChIKeyKYXXABPPJIOYDH-JGVFFNPUSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 131101584) is (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is FC(F)CN1CC[C@H]2OCC[C@H]2C1.
What is the InChIKey of (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is KYXXABPPJIOYDH-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)6-12-3-1-8-7(5-12)2-4-13-8/h7-9H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 191.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-(2,2-difluoroethyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 131101584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).