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'}

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

5-fluoro-2-heptyl-3-phosphanyloxycyclopentane-1-carbaldehyde
CID 22951152
(E)-1-(2,3-dihydro-1H-inden-2-yl)-3-[(1R,2R)-5-fluoro-2-[(Z)-hept-2-enyl]-3-phosphanyloxycyclopentyl]prop-2-en-1-one
CID 59878802
methyl (Z)-7-[(1R,2S)-3-fluoro-2-(hydroxymethyl)-5-phosphanyloxycyclopentyl]hept-5-enoate
CID 59878818
4-fluoro-2-[(E)-hept-3-enyl]-3-[(E)-3-hydroxy-4-(3-methylphenoxy)but-1-enyl]cyclopentan-1-ol
CID 22951145
(4Z,7Z,10Z,13Z)-heptadeca-4,7,10,13-tetraene
CID 10473036
CID 59963400
CID 59963400
diethyl 2-[(1R,2R,3R,4S)-4-ethoxycarbonyl-2-formyl-3-[(Z)-hex-3-enyl]-5-oxocyclopentyl]propanedioate
CID 46919629
(4Z,8E)-dodeca-4,8-diene
CID 12576906
ethane;(E)-oct-4-ene
CID 142055407
(4E,8E)-dodeca-4,8-diene
CID 12576905
(Z)-7-[(2R)-5-hydroxy-2-[2-(2-pentyl-1,3-dioxolan-2-yl)ethyl]-3-phosphanyloxycyclopentyl]hept-5-enoic acid
CID 59963403
propan-2-yl (E)-7-[2-(3-oxodecyl)-3,5-bis(phosphanyloxy)cyclopentyl]hept-5-enoate
CID 21031321

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).