cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile

C10H18FNOSi — CID 102100995

IUPACcis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile
SMILESC[Si](C)(C)O[C@@]1(C#N)CCCC[C@H]1F
InChIInChI=1S/C10H18FNOSi/c1-14(2,3)13-10(8-12)7-5-4-6-9(10)11/h9H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYTUPJWIJUYQGKZ-NXEZZACHSA-N
MW215.34 g/mol
LogP3.01
Rot. Bonds2

About cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile

cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile (PubChem CID 102100995) has the molecular formula C10H18FNOSi and a molecular weight of 215.34 g/mol. Its IUPAC name is cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile.

Molecular Properties

Compound Namecis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile
PubChem CID102100995
Molecular FormulaC10H18FNOSi
Molecular Weight215.34 g/mol
Exact Mass215.11
IUPAC Namecis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile
SMILESC[Si](C)(C)O[C@@]1(C#N)CCCC[C@H]1F
InChIInChI=1S/C10H18FNOSi/c1-14(2,3)13-10(8-12)7-5-4-6-9(10)11/h9H,4-7H2,1-3H3/t9-,10-/m1/s1
InChIKeyYTUPJWIJUYQGKZ-NXEZZACHSA-N
XLogP3.01
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,5-trimethyl-1-trimethylsilyloxycyclopentane-1-carbonitrile
CID 131741972
(1R,2R,4R)-1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile
CID 101133005
1,7,7-trimethyl-2-trimethylsilyloxybicyclo[2.2.1]heptane-2-carbonitrile
CID 85424118
4-methyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
CID 65085113
(7,7-difluoro-1-bicyclo[4.1.0]heptanyl)oxy-trimethylsilane
CID 53307531
cis-(1R,2R)-1-bromo-2-fluoro-1-methylcyclohexane
CID 14433721
2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile
CID 14765653
2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
1-methoxy-4-trimethylsilyloxypiperidine-4-carbonitrile
CID 66794043
2-fluoro-1-methylcyclooctan-1-amine
CID 166879291
4-tert-butyl-1-trimethylsilyloxycycloheptane-1-carbonitrile
CID 65094927
(2-acetyloxy-2-cyanocyclohexyl) acetate
CID 54492124

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile?
The IUPAC name of cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile (CID 102100995) is cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile.
What is the SMILES notation for cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile?
The canonical SMILES for cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile is C[Si](C)(C)O[C@@]1(C#N)CCCC[C@H]1F.
What is the InChIKey of cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile?
The InChIKey is YTUPJWIJUYQGKZ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H18FNOSi/c1-14(2,3)13-10(8-12)7-5-4-6-9(10)11/h9H,4-7H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile?
cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile has a molecular weight of 215.34 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-fluoro-1-trimethylsilyloxycyclohexane-1-carbonitrile is sourced from PubChem (CID 102100995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).