4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol

C10H17F2NO — CID 171936927

IUPAC4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol
SMILESCN1C2CCCC1CC(F)(F)C(O)C2
InChIInChI=1S/C10H17F2NO/c1-13-7-3-2-4-8(13)6-10(11,12)9(14)5-7/h7-9,14H,2-6H2,1H3
InChIKeyOSUZEBDMDSKKCV-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.63
Rot. Bonds

About 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol

4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol (PubChem CID 171936927) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol.

Molecular Properties

Compound Name4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol
PubChem CID171936927
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol
SMILESCN1C2CCCC1CC(F)(F)C(O)C2
InChIInChI=1S/C10H17F2NO/c1-13-7-3-2-4-8(13)6-10(11,12)9(14)5-7/h7-9,14H,2-6H2,1H3
InChIKeyOSUZEBDMDSKKCV-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-6-methyl-6-azabicyclo[3.1.1]heptane
CID 176941052
(1R,5S)-3-iodo-9-methyl-9-azabicyclo[3.3.1]nonane
CID 143603452
9-methyl-3-[(Z)-prop-1-enyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953204
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
9-methyl-3-pentan-3-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952737
2-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)ethanol
CID 171937168
3-cyclobutyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952343
methane;7-methyl-7-azabicyclo[2.2.1]heptane;8-methyl-8-azabicyclo[3.2.1]octane
CID 157389417
3-(methoxymethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953073
9-methyl-3-(1-trimethylsilylethenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952279
cyclopropyl-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)methanone
CID 171939010
3-(3,3-dimethoxypropyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964213

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol?
The IUPAC name of 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol (CID 171936927) is 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol.
What is the SMILES notation for 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol?
The canonical SMILES for 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol is CN1C2CCCC1CC(F)(F)C(O)C2.
What is the InChIKey of 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol?
The InChIKey is OSUZEBDMDSKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-13-7-3-2-4-8(13)6-10(11,12)9(14)5-7/h7-9,14H,2-6H2,1H3.
What are the key properties of 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol?
4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol has a molecular weight of 205.25 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-10-methyl-10-azabicyclo[4.3.1]decan-3-ol is sourced from PubChem (CID 171936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).