(Z)-2-fluoroicos-14-en-5,8-diynoic acid

C20H29FO2 — CID 13044957

IUPAC(Z)-2-fluoroicos-14-en-5,8-diynoic acid
SMILESCCCCC/C=C\CCCCC#CCC#CCCC(F)C(=O)O
InChIInChI=1S/C20H29FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,19H,2-5,8-11,14,17-18H2,1H3,(H,22,23)/b7-6-
InChIKeyFJTDZDPBXGCMOV-SREVYHEPSA-N
MW320.45 g/mol
LogP5.28
Rot. Bonds11

About (Z)-2-fluoroicos-14-en-5,8-diynoic acid

(Z)-2-fluoroicos-14-en-5,8-diynoic acid (PubChem CID 13044957) has the molecular formula C20H29FO2 and a molecular weight of 320.45 g/mol. Its IUPAC name is (Z)-2-fluoroicos-14-en-5,8-diynoic acid.

Molecular Properties

Compound Name(Z)-2-fluoroicos-14-en-5,8-diynoic acid
PubChem CID13044957
Molecular FormulaC20H29FO2
Molecular Weight320.45 g/mol
Exact Mass320.22
IUPAC Name(Z)-2-fluoroicos-14-en-5,8-diynoic acid
SMILESCCCCC/C=C\CCCCC#CCC#CCCC(F)C(=O)O
InChIInChI=1S/C20H29FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,19H,2-5,8-11,14,17-18H2,1H3,(H,22,23)/b7-6-
InChIKeyFJTDZDPBXGCMOV-SREVYHEPSA-N
XLogP5.28
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.45
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid
CID 13393083
2-icos-11-enyltetracos-15-enoic acid
CID 54547643
(Z)-2-[(Z)-octadec-9-enyl]docos-13-enoic acid
CID 87920196
2-[(Z)-tetradec-7-enyl]icosanoic acid
CID 56844148
2-fluoroundecanoic acid
CID 24976101
(Z)-pentadec-6-en-9-yne
CID 10703505
(E)-2-ethyldodec-6-enoic acid
CID 169209778
2-ethylundec-5-enoic acid
CID 169209777
2-[(Z)-hexadec-7-enyl]propanedioic acid
CID 87263289
octadeca-4,7-diynoic acid
CID 5312649
octadeca-6,9,12-triynoic acid
CID 5312682
icosa-5,11,14-triynoic acid
CID 3082413

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoroicos-14-en-5,8-diynoic acid?
The IUPAC name of (Z)-2-fluoroicos-14-en-5,8-diynoic acid (CID 13044957) is (Z)-2-fluoroicos-14-en-5,8-diynoic acid.
What is the SMILES notation for (Z)-2-fluoroicos-14-en-5,8-diynoic acid?
The canonical SMILES for (Z)-2-fluoroicos-14-en-5,8-diynoic acid is CCCCC/C=C\CCCCC#CCC#CCCC(F)C(=O)O.
What is the InChIKey of (Z)-2-fluoroicos-14-en-5,8-diynoic acid?
The InChIKey is FJTDZDPBXGCMOV-SREVYHEPSA-N. The full InChI is InChI=1S/C20H29FO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(21)20(22)23/h6-7,19H,2-5,8-11,14,17-18H2,1H3,(H,22,23)/b7-6-.
What are the key properties of (Z)-2-fluoroicos-14-en-5,8-diynoic acid?
(Z)-2-fluoroicos-14-en-5,8-diynoic acid has a molecular weight of 320.45 g/mol, XLogP of 5.28, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoroicos-14-en-5,8-diynoic acid is sourced from PubChem (CID 13044957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).