(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine

C10H18FNO — CID 131084391

IUPAC(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
SMILESFCCCN1CCC[C@H]2COC[C@H]21
InChIInChI=1S/C10H18FNO/c11-4-2-6-12-5-1-3-9-7-13-8-10(9)12/h9-10H,1-8H2/t9-,10+/m0/s1
InChIKeyNUMDNWRJIFNICG-VHSXEESVSA-N
MW187.26 g/mol
LogP1.46
Rot. Bonds3

About (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine

(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine (PubChem CID 131084391) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine.

Molecular Properties

Compound Name(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
PubChem CID131084391
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
SMILESFCCCN1CCC[C@H]2COC[C@H]21
InChIInChI=1S/C10H18FNO/c11-4-2-6-12-5-1-3-9-7-13-8-10(9)12/h9-10H,1-8H2/t9-,10+/m0/s1
InChIKeyNUMDNWRJIFNICG-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

Analyze (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine with MolForge

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Related Compounds

2-fluoro-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 167161624
(4aR,7aS)-1-(2,2-difluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 130610139
(4aR,7aS)-1-(2-fluoroethyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 130723850
(7S,7aS)-4-fluoro-1,7-dimethyl-3,3a,4,5,7,7a-hexahydro-2H-pyrano[3,4-b]pyrrole
CID 177009188
7-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 57748772
7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 68029557
6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 70350782
(7S,8aS)-7-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 89166362
6,7-dimethyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 89512612
1-methyl-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine
CID 89716243
6-tert-butyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 90337630
6-tert-butyl-3-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrole
CID 118901662

Frequently Asked Questions

What is the IUPAC name of (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The IUPAC name of (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine (CID 131084391) is (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine.
What is the SMILES notation for (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The canonical SMILES for (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine is FCCCN1CCC[C@H]2COC[C@H]21.
What is the InChIKey of (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
The InChIKey is NUMDNWRJIFNICG-VHSXEESVSA-N. The full InChI is InChI=1S/C10H18FNO/c11-4-2-6-12-5-1-3-9-7-13-8-10(9)12/h9-10H,1-8H2/t9-,10+/m0/s1.
What are the key properties of (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine?
(4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]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 (4aR,7aS)-1-(3-fluoropropyl)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b]pyridine is sourced from PubChem (CID 131084391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).