(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane

C8H14ClFO — CID 59227124

IUPAC(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
SMILESCC[C@H]1OC(Cl)[C@](C)(F)[C@@H]1C
InChIInChI=1S/C8H14ClFO/c1-4-6-5(2)8(3,10)7(9)11-6/h5-7H,4H2,1-3H3/t5-,6-,7?,8-/m1/s1
InChIKeyATKJNZPDHGXNHO-DCDLSZRSSA-N
MW180.65 g/mol
LogP2.72
Rot. Bonds1

About (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane

(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane (PubChem CID 59227124) has the molecular formula C8H14ClFO and a molecular weight of 180.65 g/mol. Its IUPAC name is (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane.

Molecular Properties

Compound Name(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
PubChem CID59227124
Molecular FormulaC8H14ClFO
Molecular Weight180.65 g/mol
Exact Mass180.07
IUPAC Name(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
SMILESCC[C@H]1OC(Cl)[C@](C)(F)[C@@H]1C
InChIInChI=1S/C8H14ClFO/c1-4-6-5(2)8(3,10)7(9)11-6/h5-7H,4H2,1-3H3/t5-,6-,7?,8-/m1/s1
InChIKeyATKJNZPDHGXNHO-DCDLSZRSSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.65
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Chloropropyl)oxolane
CID 137698638
2-(2,2-Dichloro-ethyl)-3-methyl-tetrahydro-furan
CID 15748868
(4S,5R)-2-chloro-5-ethyl-3-fluoro-4-methyloxolane
CID 58681763
(2S,3S,4R,5R)-3-chloro-5-ethyl-3-fluoro-2,4-dimethyloxolane
CID 118180564
(3S,4R,5R)-2,3-dichloro-5-ethyl-3-fluoro-4-methyloxolane
CID 118180592
(2S,5R)-2-chloro-5-ethyl-3-fluoro-3-methyloxolane
CID 122450164
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-4-methyloxolane
CID 122450192
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane
CID 122450195
(2S,4S,5R)-2-chloro-5-ethyl-3-fluoro-3-(fluoromethyl)-4-methyloxolane
CID 122450196
2-(Chloromethyl)-3-propan-2-yloxolane
CID 134934524
2-Chloro-5-ethyl-3-fluoro-4-methyloxolane
CID 21040897
3-(Chloromethyl)-2-(2,2,2-trifluoroethyl)oxolane
CID 164653986

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane?
The IUPAC name of (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane (CID 59227124) is (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane.
What is the SMILES notation for (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane?
The canonical SMILES for (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane is CC[C@H]1OC(Cl)[C@](C)(F)[C@@H]1C.
What is the InChIKey of (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane?
The InChIKey is ATKJNZPDHGXNHO-DCDLSZRSSA-N. The full InChI is InChI=1S/C8H14ClFO/c1-4-6-5(2)8(3,10)7(9)11-6/h5-7H,4H2,1-3H3/t5-,6-,7?,8-/m1/s1.
What are the key properties of (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane?
(3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane has a molecular weight of 180.65 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R)-2-chloro-5-ethyl-3-fluoro-3,4-dimethyloxolane is sourced from PubChem (CID 59227124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).