1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane

C10H17F2IO2 — CID 70216923

IUPAC1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane
SMILESCOC1CCCC1OCCCC(F)(F)I
InChIInChI=1S/C10H17F2IO2/c1-14-8-4-2-5-9(8)15-7-3-6-10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyDPWNFCGOHGZNLJ-UHFFFAOYSA-N
MW334.14 g/mol
LogP3.38
Rot. Bonds6

About 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane

1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane (PubChem CID 70216923) has the molecular formula C10H17F2IO2 and a molecular weight of 334.14 g/mol. Its IUPAC name is 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane.

Molecular Properties

Compound Name1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane
PubChem CID70216923
Molecular FormulaC10H17F2IO2
Molecular Weight334.14 g/mol
Exact Mass334.02
IUPAC Name1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane
SMILESCOC1CCCC1OCCCC(F)(F)I
InChIInChI=1S/C10H17F2IO2/c1-14-8-4-2-5-9(8)15-7-3-6-10(11,12)13/h8-9H,2-7H2,1H3
InChIKeyDPWNFCGOHGZNLJ-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane?
The IUPAC name of 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane (CID 70216923) is 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane.
What is the SMILES notation for 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane?
The canonical SMILES for 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane is COC1CCCC1OCCCC(F)(F)I.
What is the InChIKey of 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane?
The InChIKey is DPWNFCGOHGZNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2IO2/c1-14-8-4-2-5-9(8)15-7-3-6-10(11,12)13/h8-9H,2-7H2,1H3.
What are the key properties of 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane?
1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane has a molecular weight of 334.14 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-4-iodobutoxy)-2-methoxycyclopentane is sourced from PubChem (CID 70216923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).