(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane

C10H17F2NO — CID 130291086

IUPAC(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1(F)CC2CC(F)C[C@](C)(C1)N2O
InChIInChI=1S/C10H17F2NO/c1-9(12)5-8-3-7(11)4-10(2,6-9)13(8)14/h7-8,14H,3-6H2,1-2H3/t7?,8?,9?,10-/m1/s1
InChIKeyAWMKEAFEGQVIPR-SYZWKDNESA-N
MW205.25 g/mol
LogP2.46
Rot. Bonds

About (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane

(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane (PubChem CID 130291086) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
PubChem CID130291086
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane
SMILESCC1(F)CC2CC(F)C[C@](C)(C1)N2O
InChIInChI=1S/C10H17F2NO/c1-9(12)5-8-3-7(11)4-10(2,6-9)13(8)14/h7-8,14H,3-6H2,1-2H3/t7?,8?,9?,10-/m1/s1
InChIKeyAWMKEAFEGQVIPR-SYZWKDNESA-N
XLogP2.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane (CID 130291086) is (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane is CC1(F)CC2CC(F)C[C@](C)(C1)N2O.
What is the InChIKey of (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
The InChIKey is AWMKEAFEGQVIPR-SYZWKDNESA-N. The full InChI is InChI=1S/C10H17F2NO/c1-9(12)5-8-3-7(11)4-10(2,6-9)13(8)14/h7-8,14H,3-6H2,1-2H3/t7?,8?,9?,10-/m1/s1.
What are the key properties of (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane?
(1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane has a molecular weight of 205.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,7-difluoro-9-hydroxy-1,3-dimethyl-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 130291086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).