2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol

C11H19FO — CID 23405415

IUPAC2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
SMILESCC1C2CC(CC(O)F)C(C2)C1C
InChIInChI=1S/C11H19FO/c1-6-7(2)10-4-8(6)3-9(10)5-11(12)13/h6-11,13H,3-5H2,1-2H3
InChIKeyNFIPFKOXRYAHDG-UHFFFAOYSA-N
MW186.27 g/mol
LogP2.59
Rot. Bonds2

About 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol (PubChem CID 23405415) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
PubChem CID23405415
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol
SMILESCC1C2CC(CC(O)F)C(C2)C1C
InChIInChI=1S/C11H19FO/c1-6-7(2)10-4-8(6)3-9(10)5-11(12)13/h6-11,13H,3-5H2,1-2H3
InChIKeyNFIPFKOXRYAHDG-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1-difluoro-2-methylpropan-2-ol
CID 58445668
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-4-(1,3-dioxan-2-yl)butan-2-ol
CID 23560908
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-7-ethoxyheptan-4-ol
CID 21361769
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethanol
CID 20721971
[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyphosphane
CID 22887496
5-(2-ethylidene-3,3,4,4,5,6-hexamethylhept-5-enyl)-2,3-dimethylbicyclo[2.2.1]heptane
CID 59970602
2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
CID 58205815
trimethylsilyl 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)acetate
CID 23381998
[(1R,4R)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl butanoate
CID 70995611
(5R)-2,3,5-trimethylbicyclo[2.2.1]heptane
CID 59217509
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)ethyl-triethoxysilane
CID 21018762
2-[2-[(1S)-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl]acetyl]oxyethyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 118457500

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol?
The IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol (CID 23405415) is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol.
What is the SMILES notation for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol?
The canonical SMILES for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol is CC1C2CC(CC(O)F)C(C2)C1C.
What is the InChIKey of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol?
The InChIKey is NFIPFKOXRYAHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO/c1-6-7(2)10-4-8(6)3-9(10)5-11(12)13/h6-11,13H,3-5H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol?
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol has a molecular weight of 186.27 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1-fluoroethanol is sourced from PubChem (CID 23405415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).