[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane

C19H31ClF2O3Si — CID 22598016

IUPAC[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1ccc(OC(F)F)c(OCCCl)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H31ClF2O3Si/c1-13(2)26(14(3)4,15(5)6)24-12-16-7-8-17(25-19(21)22)18(11-16)23-10-9-20/h7-8,11,13-15,19H,9-10,12H2,1-6H3
InChIKeyJGALYFJYHAIFEF-UHFFFAOYSA-N
MW408.99 g/mol
LogP6.60
Rot. Bonds11

About [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane

[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane (PubChem CID 22598016) has the molecular formula C19H31ClF2O3Si and a molecular weight of 408.99 g/mol. Its IUPAC name is [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane
PubChem CID22598016
Molecular FormulaC19H31ClF2O3Si
Molecular Weight408.99 g/mol
Exact Mass408.17
IUPAC Name[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCc1ccc(OC(F)F)c(OCCCl)c1)(C(C)C)C(C)C
InChIInChI=1S/C19H31ClF2O3Si/c1-13(2)26(14(3)4,15(5)6)24-12-16-7-8-17(25-19(21)22)18(11-16)23-10-9-20/h7-8,11,13-15,19H,9-10,12H2,1-6H3
InChIKeyJGALYFJYHAIFEF-UHFFFAOYSA-N
XLogP6.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.99
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylamino]-2-methylpropanenitrile
CID 62646901
[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]methyl propan-2-yl carbonate
CID 89485014
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381
1-bromo-4-(3-chloropropyl)-2-(difluoromethoxy)benzene
CID 134619284
4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(furan-2-ylmethyl)methanamine
CID 16770566
3-chloro-4-[[4-(difluoromethoxy)-3-methoxyphenyl]methoxy]benzonitrile
CID 8977323
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methylprop-2-en-1-amine
CID 114615687
1-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221726
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 60760640

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane (CID 22598016) is [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OCc1ccc(OC(F)F)c(OCCCl)c1)(C(C)C)C(C)C.
What is the InChIKey of [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane?
The InChIKey is JGALYFJYHAIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31ClF2O3Si/c1-13(2)26(14(3)4,15(5)6)24-12-16-7-8-17(25-19(21)22)18(11-16)23-10-9-20/h7-8,11,13-15,19H,9-10,12H2,1-6H3.
What are the key properties of [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane?
[3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane has a molecular weight of 408.99 g/mol, XLogP of 6.60, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloroethoxy)-4-(difluoromethoxy)phenyl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 22598016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).