trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde

C13H22FO2P — CID 59878808

IUPACtrans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde
SMILESCCC/C=C\CC[C@H]1C(OP)CC(F)[C@@H]1C=O
InChIInChI=1S/C13H22FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h4-5,9-13H,2-3,6-8,17H2,1H3/b5-4-/t10-,11-,12?,13?/m1/s1
InChIKeyADAZTSCPJIACLO-ORDDLUGXSA-N
MW260.29 g/mol
LogP3.47
Rot. Bonds7

About trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde

trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde (PubChem CID 59878808) has the molecular formula C13H22FO2P and a molecular weight of 260.29 g/mol. Its IUPAC name is trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde.

Molecular Properties

Compound Nametrans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde
PubChem CID59878808
Molecular FormulaC13H22FO2P
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Nametrans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde
SMILESCCC/C=C\CC[C@H]1C(OP)CC(F)[C@@H]1C=O
InChIInChI=1S/C13H22FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h4-5,9-13H,2-3,6-8,17H2,1H3/b5-4-/t10-,11-,12?,13?/m1/s1
InChIKeyADAZTSCPJIACLO-ORDDLUGXSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde?
The IUPAC name of trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde (CID 59878808) is trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde.
What is the SMILES notation for trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde?
The canonical SMILES for trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde is CCC/C=C\CC[C@H]1C(OP)CC(F)[C@@H]1C=O.
What is the InChIKey of trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde?
The InChIKey is ADAZTSCPJIACLO-ORDDLUGXSA-N. The full InChI is InChI=1S/C13H22FO2P/c1-2-3-4-5-6-7-10-11(9-15)12(14)8-13(10)16-17/h4-5,9-13H,2-3,6-8,17H2,1H3/b5-4-/t10-,11-,12?,13?/m1/s1.
What are the key properties of trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde?
trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde has a molecular weight of 260.29 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-5-fluoro-2-[(Z)-hept-3-enyl]-3-phosphanyloxycyclopentane-1-carbaldehyde is sourced from PubChem (CID 59878808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).