(2R)-1-(3-fluoropropoxy)-2-iodobutane

C7H14FIO — CID 130394897

IUPAC(2R)-1-(3-fluoropropoxy)-2-iodobutane
SMILESCC[C@@H](I)COCCCF
InChIInChI=1S/C7H14FIO/c1-2-7(9)6-10-5-3-4-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyJZJQUBBGMOIWHK-SSDOTTSWSA-N
MW260.09 g/mol
LogP2.58
Rot. Bonds6

About (2R)-1-(3-fluoropropoxy)-2-iodobutane

(2R)-1-(3-fluoropropoxy)-2-iodobutane (PubChem CID 130394897) has the molecular formula C7H14FIO and a molecular weight of 260.09 g/mol. Its IUPAC name is (2R)-1-(3-fluoropropoxy)-2-iodobutane.

Molecular Properties

Compound Name(2R)-1-(3-fluoropropoxy)-2-iodobutane
PubChem CID130394897
Molecular FormulaC7H14FIO
Molecular Weight260.09 g/mol
Exact Mass260.01
IUPAC Name(2R)-1-(3-fluoropropoxy)-2-iodobutane
SMILESCC[C@@H](I)COCCCF
InChIInChI=1S/C7H14FIO/c1-2-7(9)6-10-5-3-4-8/h7H,2-6H2,1H3/t7-/m1/s1
InChIKeyJZJQUBBGMOIWHK-SSDOTTSWSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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

1-Ethoxy-3-iodopropane
CID 12841433
1-(2-Iodoethoxy)-butane
CID 21522244
1-(2-Fluoropropoxy)butane
CID 15062442
1-Iodo-4-methoxybutane
CID 22707894
Ethyl 2-iodopropyl ether
CID 59112647
4-Ethoxy-1,1-difluoro-1,3-diiodobutane
CID 10916126
1-(2-Fluoroethoxy)butane
CID 14625835
1-(3-Fluoropropoxy)butane
CID 18335870
1-Ethoxy-1-fluorobutane
CID 22721321
1-Ethoxy-3-fluorobutane
CID 53916352
1-Ethoxy-4-fluorobutane
CID 54232066
1-Ethoxy-2-fluorobutane
CID 54236685

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluoropropoxy)-2-iodobutane?
The IUPAC name of (2R)-1-(3-fluoropropoxy)-2-iodobutane (CID 130394897) is (2R)-1-(3-fluoropropoxy)-2-iodobutane.
What is the SMILES notation for (2R)-1-(3-fluoropropoxy)-2-iodobutane?
The canonical SMILES for (2R)-1-(3-fluoropropoxy)-2-iodobutane is CC[C@@H](I)COCCCF.
What is the InChIKey of (2R)-1-(3-fluoropropoxy)-2-iodobutane?
The InChIKey is JZJQUBBGMOIWHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14FIO/c1-2-7(9)6-10-5-3-4-8/h7H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(3-fluoropropoxy)-2-iodobutane?
(2R)-1-(3-fluoropropoxy)-2-iodobutane has a molecular weight of 260.09 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluoropropoxy)-2-iodobutane is sourced from PubChem (CID 130394897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).