6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

C14H23F2N — CID 178037636

IUPAC6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CCC1(CN2CC3C(C2)C3(F)F)CC1
InChIInChI=1S/C14H23F2N/c1-10(2)3-4-13(5-6-13)9-17-7-11-12(8-17)14(11,15)16/h10-12H,3-9H2,1-2H3
InChIKeyAUPISINHJRNCRS-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.40
Rot. Bonds5

About 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane

6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (PubChem CID 178037636) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
PubChem CID178037636
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
SMILESCC(C)CCC1(CN2CC3C(C2)C3(F)F)CC1
InChIInChI=1S/C14H23F2N/c1-10(2)3-4-13(5-6-13)9-17-7-11-12(8-17)14(11,15)16/h10-12H,3-9H2,1-2H3
InChIKeyAUPISINHJRNCRS-UHFFFAOYSA-N
XLogP3.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane (CID 178037636) is 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is CC(C)CCC1(CN2CC3C(C2)C3(F)F)CC1.
What is the InChIKey of 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
The InChIKey is AUPISINHJRNCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N/c1-10(2)3-4-13(5-6-13)9-17-7-11-12(8-17)14(11,15)16/h10-12H,3-9H2,1-2H3.
What are the key properties of 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane?
6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane has a molecular weight of 243.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 178037636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).