6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H17F2N — CID 163614747

IUPAC6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)C12CCCN1CC(F)(F)C2
InChIInChI=1S/C10H17F2N/c1-8(2)9-4-3-5-13(9)7-10(11,12)6-9/h8H,3-7H2,1-2H3
InChIKeyRVMFPWHQJNXVBT-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.52
Rot. Bonds1

About 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine

6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163614747) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163614747
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCC(C)C12CCCN1CC(F)(F)C2
InChIInChI=1S/C10H17F2N/c1-8(2)9-4-3-5-13(9)7-10(11,12)6-9/h8H,3-7H2,1-2H3
InChIKeyRVMFPWHQJNXVBT-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163614747) is 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is CC(C)C12CCCN1CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is RVMFPWHQJNXVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2)9-4-3-5-13(9)7-10(11,12)6-9/h8H,3-7H2,1-2H3.
What are the key properties of 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 189.25 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163614747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).