trans-(1S,2S)-2-fluorocyclododecan-1-ol

C12H23FO — CID 23237008

IUPACtrans-(1S,2S)-2-fluorocyclododecan-1-ol
SMILESO[C@H]1CCCCCCCCCC[C@@H]1F
InChIInChI=1S/C12H23FO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12,14H,1-10H2/t11-,12-/m0/s1
InChIKeyXYEKQVIBSUZDKS-RYUDHWBXSA-N
MW202.31 g/mol
LogP3.60
Rot. Bonds

About trans-(1S,2S)-2-fluorocyclododecan-1-ol

trans-(1S,2S)-2-fluorocyclododecan-1-ol (PubChem CID 23237008) has the molecular formula C12H23FO and a molecular weight of 202.31 g/mol. Its IUPAC name is trans-(1S,2S)-2-fluorocyclododecan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-fluorocyclododecan-1-ol
PubChem CID23237008
Molecular FormulaC12H23FO
Molecular Weight202.31 g/mol
Exact Mass202.17
IUPAC Nametrans-(1S,2S)-2-fluorocyclododecan-1-ol
SMILESO[C@H]1CCCCCCCCCC[C@@H]1F
InChIInChI=1S/C12H23FO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12,14H,1-10H2/t11-,12-/m0/s1
InChIKeyXYEKQVIBSUZDKS-RYUDHWBXSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1S,2S)-2-fluorocyclopentan-1-ol
CID 68682324
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclohexane-1,2-diol;trans-(1R,2R)-cyclohexane-1,2-diol
CID 121492980
trans-(1S,2S)-2-[(1S,2S)-2-fluorocyclohexyl]oxycyclohexan-1-ol
CID 119031147
bis(2-fluorocyclohexyl)-dihydroxy-oxo-λ6-sulfane
CID 66796066
1,2,3,4,5,6-hexafluorocyclododecane
CID 118221471
trans-(1S,2S)-2-chlorocyclooctan-1-ol
CID 15084407
trans-(1R,2R)-1-bromo-2-fluorocycloheptane
CID 11446885
cis-(1R,2S)-2-aminocyclononan-1-ol
CID 130765109
(2R)-2-bromocyclododecan-1-ol
CID 177392734
2-methylcyclododecan-1-ol
CID 13130078

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-fluorocyclododecan-1-ol?
The IUPAC name of trans-(1S,2S)-2-fluorocyclododecan-1-ol (CID 23237008) is trans-(1S,2S)-2-fluorocyclododecan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-fluorocyclododecan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-fluorocyclododecan-1-ol is O[C@H]1CCCCCCCCCC[C@@H]1F.
What is the InChIKey of trans-(1S,2S)-2-fluorocyclododecan-1-ol?
The InChIKey is XYEKQVIBSUZDKS-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H23FO/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-12,14H,1-10H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-fluorocyclododecan-1-ol?
trans-(1S,2S)-2-fluorocyclododecan-1-ol has a molecular weight of 202.31 g/mol, XLogP of 3.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-fluorocyclododecan-1-ol is sourced from PubChem (CID 23237008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).