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

C10H18FNO — CID 130863556

IUPAC(3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESFCCCN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C10H18FNO/c11-4-1-5-12-6-2-10-9(8-12)3-7-13-10/h9-10H,1-8H2/t9-,10+/m0/s1
InChIKeyNXVMDWLQTBFYHO-VHSXEESVSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds3

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

(3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 130863556) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name(3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID130863556
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESFCCCN1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C10H18FNO/c11-4-1-5-12-6-2-10-9(8-12)3-7-13-10/h9-10H,1-8H2/t9-,10+/m0/s1
InChIKeyNXVMDWLQTBFYHO-VHSXEESVSA-N
XLogP1.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 130863556) is (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is FCCCN1CC[C@H]2OCC[C@H]2C1.
What is the InChIKey of (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is NXVMDWLQTBFYHO-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18FNO/c11-4-1-5-12-6-2-10-9(8-12)3-7-13-10/h9-10H,1-8H2/t9-,10+/m0/s1.
What are the key properties of (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
(3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 187.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,7aR)-5-(3-fluoropropyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 130863556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).