(3R)-1-(2,2-difluoroethoxy)-3-iodopentane

C7H13F2IO — CID 130394753

IUPAC(3R)-1-(2,2-difluoroethoxy)-3-iodopentane
SMILESCC[C@@H](I)CCOCC(F)F
InChIInChI=1S/C7H13F2IO/c1-2-6(10)3-4-11-5-7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyINODILCJDWLQHD-ZCFIWIBFSA-N
MW278.08 g/mol
LogP2.87
Rot. Bonds6

About (3R)-1-(2,2-difluoroethoxy)-3-iodopentane

(3R)-1-(2,2-difluoroethoxy)-3-iodopentane (PubChem CID 130394753) has the molecular formula C7H13F2IO and a molecular weight of 278.08 g/mol. Its IUPAC name is (3R)-1-(2,2-difluoroethoxy)-3-iodopentane.

Molecular Properties

Compound Name(3R)-1-(2,2-difluoroethoxy)-3-iodopentane
PubChem CID130394753
Molecular FormulaC7H13F2IO
Molecular Weight278.08 g/mol
Exact Mass278.00
IUPAC Name(3R)-1-(2,2-difluoroethoxy)-3-iodopentane
SMILESCC[C@@H](I)CCOCC(F)F
InChIInChI=1S/C7H13F2IO/c1-2-6(10)3-4-11-5-7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1
InChIKeyINODILCJDWLQHD-ZCFIWIBFSA-N
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.08
LogP ≤ 52.87
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

1-(2,2,2-Trifluoro-ethoxy)-pentane
CID 12643281
4-Ethoxy-1,1-difluoro-1,3-diiodobutane
CID 10916126
5-Ethoxy-1,1,1,2,3,3,4,4-octafluoropentane
CID 19063451
5-Ethoxy-1,1,2,3,3,4,4-heptafluoropentane
CID 19063493
1-(3,3,3-Trifluoropropoxy)pentane
CID 20691907
1-Ethoxy-1,1-difluoropentane
CID 21052612
5-Ethoxy-1,1,1-trifluoropentane
CID 21657879
1,1,1-Trifluoro-5-propoxypentane
CID 21657894
5-Ethoxy-1,1,2,2,3,3,4,4-octafluoropentane
CID 22436576
1-(1,1,2,2-Tetrafluoroethoxy)pentane
CID 53657802
1-Ethoxy-2,2,3,3,4,4-hexafluoropentane
CID 53880196
1-(1,1-Difluoroethoxy)pentane
CID 54098302

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-difluoroethoxy)-3-iodopentane?
The IUPAC name of (3R)-1-(2,2-difluoroethoxy)-3-iodopentane (CID 130394753) is (3R)-1-(2,2-difluoroethoxy)-3-iodopentane.
What is the SMILES notation for (3R)-1-(2,2-difluoroethoxy)-3-iodopentane?
The canonical SMILES for (3R)-1-(2,2-difluoroethoxy)-3-iodopentane is CC[C@@H](I)CCOCC(F)F.
What is the InChIKey of (3R)-1-(2,2-difluoroethoxy)-3-iodopentane?
The InChIKey is INODILCJDWLQHD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F2IO/c1-2-6(10)3-4-11-5-7(8)9/h6-7H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of (3R)-1-(2,2-difluoroethoxy)-3-iodopentane?
(3R)-1-(2,2-difluoroethoxy)-3-iodopentane has a molecular weight of 278.08 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-difluoroethoxy)-3-iodopentane is sourced from PubChem (CID 130394753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).