(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane

C15H29FO3 — CID 173315719

IUPAC(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane
SMILESCCCCCOC[C@H]1OC[C@H](F)[C@@H]1OCCCCC
InChIInChI=1S/C15H29FO3/c1-3-5-7-9-17-12-14-15(13(16)11-19-14)18-10-8-6-4-2/h13-15H,3-12H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyNFYZJFAOVVXZQQ-ZNMIVQPWSA-N
MW276.39 g/mol
LogP3.51
Rot. Bonds11

About (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane

(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane (PubChem CID 173315719) has the molecular formula C15H29FO3 and a molecular weight of 276.39 g/mol. Its IUPAC name is (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane.

Molecular Properties

Compound Name(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane
PubChem CID173315719
Molecular FormulaC15H29FO3
Molecular Weight276.39 g/mol
Exact Mass276.21
IUPAC Name(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane
SMILESCCCCCOC[C@H]1OC[C@H](F)[C@@H]1OCCCCC
InChIInChI=1S/C15H29FO3/c1-3-5-7-9-17-12-14-15(13(16)11-19-14)18-10-8-6-4-2/h13-15H,3-12H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyNFYZJFAOVVXZQQ-ZNMIVQPWSA-N
XLogP3.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Butoxymethyl)tetrahydrofuran
CID 4581212
1,4-Anhydro-2,3,5-tri-O-methyl-D-ribitol
CID 6428066
Tetrahydrofurfuryl isopropyl ether
CID 13763952
3,4-Dimethoxy-2-(methoxymethyl)oxolane
CID 526629
3-Methoxy-2-(methoxymethyl)oxolane
CID 58844104
2-(2-Butan-2-yloxyethoxymethyl)-2,3,3,4,4,5-hexafluorooxolane
CID 57689085
(2S,3S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 58062016
2-(1,1-Difluoroethoxymethyl)oxolane
CID 58114944
(2R,4R,5S)-4-fluoro-3-methoxy-2-(methoxymethyl)-5-methyloxolane
CID 58209642
(2S,3S,4R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-[(1S)-1-propan-2-yloxyethyl]oxolane
CID 58498310
(2S,4R,5R)-3-(2-fluoroethoxy)-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 58566890
(2S,3R,5R)-3-fluoro-2-methyl-4-propan-2-yloxy-5-(propan-2-yloxymethyl)oxolane
CID 59475268

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane?
The IUPAC name of (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane (CID 173315719) is (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane.
What is the SMILES notation for (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane?
The canonical SMILES for (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane is CCCCCOC[C@H]1OC[C@H](F)[C@@H]1OCCCCC.
What is the InChIKey of (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane?
The InChIKey is NFYZJFAOVVXZQQ-ZNMIVQPWSA-N. The full InChI is InChI=1S/C15H29FO3/c1-3-5-7-9-17-12-14-15(13(16)11-19-14)18-10-8-6-4-2/h13-15H,3-12H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane?
(2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane has a molecular weight of 276.39 g/mol, XLogP of 3.51, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-4-fluoro-3-pentoxy-2-(pentoxymethyl)oxolane is sourced from PubChem (CID 173315719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).