2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate

C12H23F2NO2Si — CID 101409779

IUPAC2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)[C@@]1(N)CCCCC1(F)F
InChIInChI=1S/C12H23F2NO2Si/c1-18(2,3)9-8-17-10(16)11(15)6-4-5-7-12(11,13)14/h4-9,15H2,1-3H3/t11-/m0/s1
InChIKeyKFUUFVRAPBELOB-NSHDSACASA-N
MW279.40 g/mol
LogP2.77
Rot. Bonds4

About 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate

2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate (PubChem CID 101409779) has the molecular formula C12H23F2NO2Si and a molecular weight of 279.40 g/mol. Its IUPAC name is 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Name2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate
PubChem CID101409779
Molecular FormulaC12H23F2NO2Si
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate
SMILESC[Si](C)(C)CCOC(=O)[C@@]1(N)CCCCC1(F)F
InChIInChI=1S/C12H23F2NO2Si/c1-18(2,3)9-8-17-10(16)11(15)6-4-5-7-12(11,13)14/h4-9,15H2,1-3H3/t11-/m0/s1
InChIKeyKFUUFVRAPBELOB-NSHDSACASA-N
XLogP2.77
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate?
The IUPAC name of 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate (CID 101409779) is 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate.
What is the SMILES notation for 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate?
The canonical SMILES for 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate is C[Si](C)(C)CCOC(=O)[C@@]1(N)CCCCC1(F)F.
What is the InChIKey of 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate?
The InChIKey is KFUUFVRAPBELOB-NSHDSACASA-N. The full InChI is InChI=1S/C12H23F2NO2Si/c1-18(2,3)9-8-17-10(16)11(15)6-4-5-7-12(11,13)14/h4-9,15H2,1-3H3/t11-/m0/s1.
What are the key properties of 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate?
2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate has a molecular weight of 279.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl (1S)-1-amino-2,2-difluorocyclohexane-1-carboxylate is sourced from PubChem (CID 101409779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).