N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine

C16H26ClF2NOSi — CID 87478481

IUPACN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CNCC(F)F)ccc1Cl
InChIInChI=1S/C16H26ClF2NOSi/c1-16(2,3)22(4,5)21-11-13-8-12(6-7-14(13)17)9-20-10-15(18)19/h6-8,15,20H,9-11H2,1-5H3
InChIKeyQICMHJRPOMENBA-UHFFFAOYSA-N
MW349.93 g/mol
LogP5.22
Rot. Bonds7

About N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine

N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine (PubChem CID 87478481) has the molecular formula C16H26ClF2NOSi and a molecular weight of 349.93 g/mol. Its IUPAC name is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine
PubChem CID87478481
Molecular FormulaC16H26ClF2NOSi
Molecular Weight349.93 g/mol
Exact Mass349.14
IUPAC NameN-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CNCC(F)F)ccc1Cl
InChIInChI=1S/C16H26ClF2NOSi/c1-16(2,3)22(4,5)21-11-13-8-12(6-7-14(13)17)9-20-10-15(18)19/h6-8,15,20H,9-11H2,1-5H3
InChIKeyQICMHJRPOMENBA-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.93
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine (CID 87478481) is N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine is CC(C)(C)[Si](C)(C)OCc1cc(CNCC(F)F)ccc1Cl.
What is the InChIKey of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine?
The InChIKey is QICMHJRPOMENBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClF2NOSi/c1-16(2,3)22(4,5)21-11-13-8-12(6-7-14(13)17)9-20-10-15(18)19/h6-8,15,20H,9-11H2,1-5H3.
What are the key properties of N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine?
N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine has a molecular weight of 349.93 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-chlorophenyl]methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 87478481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).