(1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

C10H17F2N — CID 176776102

IUPAC(1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)[C@]12C[C@@H](F)CN1CC[C@@H]2F
InChIInChI=1S/C10H17F2N/c1-7(2)10-5-8(11)6-13(10)4-3-9(10)12/h7-9H,3-6H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyCUWHSWMKRXPQJZ-UTLUCORTSA-N
MW189.25 g/mol
LogP2.17
Rot. Bonds1

About (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

(1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176776102) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176776102
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name(1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCC(C)[C@]12C[C@@H](F)CN1CC[C@@H]2F
InChIInChI=1S/C10H17F2N/c1-7(2)10-5-8(11)6-13(10)4-3-9(10)12/h7-9H,3-6H2,1-2H3/t8-,9+,10+/m1/s1
InChIKeyCUWHSWMKRXPQJZ-UTLUCORTSA-N
XLogP2.17
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (CID 176776102) is (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is CC(C)[C@]12C[C@@H](F)CN1CC[C@@H]2F.
What is the InChIKey of (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is CUWHSWMKRXPQJZ-UTLUCORTSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)10-5-8(11)6-13(10)4-3-9(10)12/h7-9H,3-6H2,1-2H3/t8-,9+,10+/m1/s1.
What are the key properties of (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
(1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 189.25 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,8S)-1,6-difluoro-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176776102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).