2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

C11H19FOSi — CID 70075127

IUPAC2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCCCC1F
InChIInChI=1S/C11H19FOSi/c1-14(2,3)9-8-11(13)7-5-4-6-10(11)12/h10,13H,4-7H2,1-3H3
InChIKeyDTYLCCIAZJFBCV-UHFFFAOYSA-N
MW214.36 g/mol
LogP2.51
Rot. Bonds

About 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol

2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (PubChem CID 70075127) has the molecular formula C11H19FOSi and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
PubChem CID70075127
Molecular FormulaC11H19FOSi
Molecular Weight214.36 g/mol
Exact Mass214.12
IUPAC Name2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
SMILESC[Si](C)(C)C#CC1(O)CCCCC1F
InChIInChI=1S/C11H19FOSi/c1-14(2,3)9-8-11(13)7-5-4-6-10(11)12/h10,13H,4-7H2,1-3H3
InChIKeyDTYLCCIAZJFBCV-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-Trimethylsilanylethynyl-cyclohexanol
CID 205445
1-(((Chloromethyl)dimethylsilyl)ethynyl)-cyclohexanol
CID 99375
(2R)-2-cyclohexyl-1,1,1-trifluoro-5-trimethylsilylpent-4-yn-2-ol
CID 134968789
5-(2-Trimethylsilylethynyl)nonan-5-ol
CID 12125188
4,4-Difluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 163363990
1-Trimethylsilylmethylcyclohexanol
CID 4128986
1-(3-Methyl-3-trimethylsilylbut-1-ynyl)cyclohexan-1-ol
CID 10243305
Cyclohexanol, 1-[3-(trimethylsilyl)-1-propynyl]-
CID 10856759
cis-(1S,3S)-1-methyl-3-trimethylsilylcyclohexan-1-ol
CID 11074122
1-(2-Trimethylsilylethyl)cyclohexan-1-ol
CID 12937314
1-[2-[Fluoro(dimethyl)silyl]ethyl]cyclohexan-1-ol
CID 10679735
1-[1,1-Difluoro-3-tri(propan-2-yl)silylprop-2-ynyl]cyclohexan-1-ol
CID 15495761

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The IUPAC name of 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol (CID 70075127) is 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol.
What is the SMILES notation for 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The canonical SMILES for 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is C[Si](C)(C)C#CC1(O)CCCCC1F.
What is the InChIKey of 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
The InChIKey is DTYLCCIAZJFBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FOSi/c1-14(2,3)9-8-11(13)7-5-4-6-10(11)12/h10,13H,4-7H2,1-3H3.
What are the key properties of 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol?
2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol has a molecular weight of 214.36 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-(2-trimethylsilylethynyl)cyclohexan-1-ol is sourced from PubChem (CID 70075127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).