7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

C15H19F2NO2 — CID 171961893

IUPAC7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(c1cccc(C(F)F)c1)C2
InChIInChI=1S/C15H19F2NO2/c1-18-12-6-15(19,7-13(18)9-20-8-12)11-4-2-3-10(5-11)14(16)17/h2-5,12-14,19H,6-9H2,1H3
InChIKeyKMMOGTLBYUHDBL-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.30
Rot. Bonds2

About 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol

7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (PubChem CID 171961893) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.

Molecular Properties

Compound Name7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
PubChem CID171961893
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
SMILESCN1C2COCC1CC(O)(c1cccc(C(F)F)c1)C2
InChIInChI=1S/C15H19F2NO2/c1-18-12-6-15(19,7-13(18)9-20-8-12)11-4-2-3-10(5-11)14(16)17/h2-5,12-14,19H,6-9H2,1H3
InChIKeyKMMOGTLBYUHDBL-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,4-dimethoxyphenyl)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171955199
2-fluoro-5-(7-hydroxy-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)benzonitrile
CID 171960986
9-benzyl-3-[3-(difluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961885
9-methyl-7-(4-morpholin-4-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171957295
7-[4-(dimethylamino)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171960411
9-methyl-7-(2,3,4,5,6-pentafluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171963925
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
9-methyl-7-[2-(trifluoromethyl)pyrimidin-5-yl]-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171954604
1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
9-methyl-7-(2,4,5-trimethylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962017
7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956946
9-benzyl-7-(3-fluorophenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171965098

Frequently Asked Questions

What is the IUPAC name of 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The IUPAC name of 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol (CID 171961893) is 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol.
What is the SMILES notation for 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The canonical SMILES for 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is CN1C2COCC1CC(O)(c1cccc(C(F)F)c1)C2.
What is the InChIKey of 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
The InChIKey is KMMOGTLBYUHDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c1-18-12-6-15(19,7-13(18)9-20-8-12)11-4-2-3-10(5-11)14(16)17/h2-5,12-14,19H,6-9H2,1H3.
What are the key properties of 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol?
7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol has a molecular weight of 283.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(difluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol is sourced from PubChem (CID 171961893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).