4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane

C10H19F2IO2 — CID 13189251

IUPAC4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane
SMILESCCOC(C)OC(C)(C)C(F)(F)CCI
InChIInChI=1S/C10H19F2IO2/c1-5-14-8(2)15-9(3,4)10(11,12)6-7-13/h8H,5-7H2,1-4H3
InChIKeyFSPMDNWDRSBVOR-UHFFFAOYSA-N
MW336.16 g/mol
LogP3.62
Rot. Bonds7

About 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane

4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane (PubChem CID 13189251) has the molecular formula C10H19F2IO2 and a molecular weight of 336.16 g/mol. Its IUPAC name is 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane.

Molecular Properties

Compound Name4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane
PubChem CID13189251
Molecular FormulaC10H19F2IO2
Molecular Weight336.16 g/mol
Exact Mass336.04
IUPAC Name4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane
SMILESCCOC(C)OC(C)(C)C(F)(F)CCI
InChIInChI=1S/C10H19F2IO2/c1-5-14-8(2)15-9(3,4)10(11,12)6-7-13/h8H,5-7H2,1-4H3
InChIKeyFSPMDNWDRSBVOR-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.16
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane?
The IUPAC name of 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane (CID 13189251) is 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane.
What is the SMILES notation for 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane?
The canonical SMILES for 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane is CCOC(C)OC(C)(C)C(F)(F)CCI.
What is the InChIKey of 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane?
The InChIKey is FSPMDNWDRSBVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2IO2/c1-5-14-8(2)15-9(3,4)10(11,12)6-7-13/h8H,5-7H2,1-4H3.
What are the key properties of 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane?
4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane has a molecular weight of 336.16 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane is sourced from PubChem (CID 13189251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).