1-fluoro-5-(2-iodoethoxy)pentane

C7H14FIO — CID 88676899

IUPAC1-fluoro-5-(2-iodoethoxy)pentane
SMILESFCCCCCOCCI
InChIInChI=1S/C7H14FIO/c8-4-2-1-3-6-10-7-5-9/h1-7H2
InChIKeyNFBSYQOIUXUSNV-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.58
Rot. Bonds7

About 1-fluoro-5-(2-iodoethoxy)pentane

1-fluoro-5-(2-iodoethoxy)pentane (PubChem CID 88676899) has the molecular formula C7H14FIO and a molecular weight of 260.09 g/mol. Its IUPAC name is 1-fluoro-5-(2-iodoethoxy)pentane.

Molecular Properties

Compound Name1-fluoro-5-(2-iodoethoxy)pentane
PubChem CID88676899
Molecular FormulaC7H14FIO
Molecular Weight260.09 g/mol
Exact Mass260.01
IUPAC Name1-fluoro-5-(2-iodoethoxy)pentane
SMILESFCCCCCOCCI
InChIInChI=1S/C7H14FIO/c8-4-2-1-3-6-10-7-5-9/h1-7H2
InChIKeyNFBSYQOIUXUSNV-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-2-(iodomethyl)oxolane
CID 145913666
(2S,3R)-2-fluoro-3-iodooxane
CID 23236907
(2R,3R)-2-fluoro-3-iodooxane
CID 23236908
2-Fluoro-3-iodooxane
CID 15394945
4-Fluoro-4-iodooxane
CID 89513541
1,1,1-Trifluoro-5-(1,1,2,2-tetrafluoro-2-iodoethoxy)pentane
CID 117733499
(3R)-1-(2,2-difluoroethoxy)-3-iodopentane
CID 130394753
(2R)-1-(3-fluoropropoxy)-2-iodobutane
CID 130394897
1-[3-(Fluoromethoxy)propoxy]-5-iodopentane
CID 155056281
(2R,3S)-3-fluoro-2-(iodomethyl)oxolane
CID 101459128
(2S,3R)-3-fluoro-2-(iodomethyl)oxolane
CID 101459129
1-Ethoxy-3-iodopentane
CID 129809279

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(2-iodoethoxy)pentane?
The IUPAC name of 1-fluoro-5-(2-iodoethoxy)pentane (CID 88676899) is 1-fluoro-5-(2-iodoethoxy)pentane.
What is the SMILES notation for 1-fluoro-5-(2-iodoethoxy)pentane?
The canonical SMILES for 1-fluoro-5-(2-iodoethoxy)pentane is FCCCCCOCCI.
What is the InChIKey of 1-fluoro-5-(2-iodoethoxy)pentane?
The InChIKey is NFBSYQOIUXUSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FIO/c8-4-2-1-3-6-10-7-5-9/h1-7H2.
What are the key properties of 1-fluoro-5-(2-iodoethoxy)pentane?
1-fluoro-5-(2-iodoethoxy)pentane has a molecular weight of 260.09 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(2-iodoethoxy)pentane is sourced from PubChem (CID 88676899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).