trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane

C7H12FIO — CID 155736395

IUPACtrans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane
SMILESCC(I)O[C@@H]1CCC[C@H]1F
InChIInChI=1S/C7H12FIO/c1-5(9)10-7-4-2-3-6(7)8/h5-7H,2-4H2,1H3/t5?,6-,7-/m1/s1
InChIKeyGGKUFJNCFCPYNP-JXBXZBNISA-N
MW258.07 g/mol
LogP2.67
Rot. Bonds2

About trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane

trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane (PubChem CID 155736395) has the molecular formula C7H12FIO and a molecular weight of 258.07 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane
PubChem CID155736395
Molecular FormulaC7H12FIO
Molecular Weight258.07 g/mol
Exact Mass257.99
IUPAC Nametrans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane
SMILESCC(I)O[C@@H]1CCC[C@H]1F
InChIInChI=1S/C7H12FIO/c1-5(9)10-7-4-2-3-6(7)8/h5-7H,2-4H2,1H3/t5?,6-,7-/m1/s1
InChIKeyGGKUFJNCFCPYNP-JXBXZBNISA-N
XLogP2.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
trans-(1S,2S)-1-ethoxy-2-iodocyclopentane
CID 11118152
(3R)-3-fluoro-2-iodo-5-methyloxolane
CID 144965505
trans-(1R,2R)-1-fluoro-2-methoxycyclopentane
CID 155380275
trans-(1R,2R)-1-fluoro-2-propan-2-yloxycyclopentane
CID 164822350
trans-(1S,2S)-1-ethoxy-2-fluorocyclopentane
CID 170127022
1-Fluoro-2-methoxycyclopentane
CID 171766477
1-Fluoro-3-methoxycyclopentane
CID 174947767
(2R,3S)-3-fluoro-2-(iodomethyl)oxolane
CID 101459128
(2S,3R)-3-fluoro-2-(iodomethyl)oxolane
CID 101459129
1-Iodo-2-[(1,1,1-trifluoropropan-2-yl)oxy]cyclopentane
CID 114774549
1-(2,2-Difluoroethoxy)-2-iodocyclopentane
CID 114774721

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane (CID 155736395) is trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane is CC(I)O[C@@H]1CCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane?
The InChIKey is GGKUFJNCFCPYNP-JXBXZBNISA-N. The full InChI is InChI=1S/C7H12FIO/c1-5(9)10-7-4-2-3-6(7)8/h5-7H,2-4H2,1H3/t5?,6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane?
trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane has a molecular weight of 258.07 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-2-(1-iodoethoxy)cyclopentane is sourced from PubChem (CID 155736395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).