(Z)-2-fluorohept-2-enoic acid

C7H11FO2 — CID 14691011

IUPAC(Z)-2-fluorohept-2-enoic acid
SMILESCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-2-3-4-5-6(8)7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-
InChIKeyLYFUXBOXKGWOCX-WAYWQWQTSA-N
MW146.16 g/mol
LogP2.11
Rot. Bonds4

About (Z)-2-fluorohept-2-enoic acid

(Z)-2-fluorohept-2-enoic acid (PubChem CID 14691011) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is (Z)-2-fluorohept-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluorohept-2-enoic acid
PubChem CID14691011
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Name(Z)-2-fluorohept-2-enoic acid
SMILESCCCC/C=C(\F)C(=O)O
InChIInChI=1S/C7H11FO2/c1-2-3-4-5-6(8)7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-
InChIKeyLYFUXBOXKGWOCX-WAYWQWQTSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(14Z)-2-fluorononadeca-2,14-dienoic acid
CID 175559432
[(E)-5-carboxy-5-fluoropent-4-enyl]azanium
CID 59498641
6-fluorotrideca-5,8-dien-7-one
CID 85312350
(Z)-9-amino-2-fluoronon-2-enoic acid;hydrochloride
CID 25028652
(Z)-14-amino-2-fluorotetradec-2-enoic acid;hydrochloride
CID 25028656
2-(chloromethyl)hept-2-enoic acid
CID 57071249
(Z)-2-hydroxyoct-2-enoic acid
CID 87585119
2-hexylidenepropanedioic acid
CID 21274064
ethyl (Z)-2-fluorooct-2-enoate
CID 10867106
(E)-2-methoxyhept-2-enoic acid
CID 87190436
2-fluoro-1-phenyloct-2-en-1-one
CID 71437932
ethyl (Z)-2-fluorohexadec-2-enoate
CID 89415305

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluorohept-2-enoic acid?
The IUPAC name of (Z)-2-fluorohept-2-enoic acid (CID 14691011) is (Z)-2-fluorohept-2-enoic acid.
What is the SMILES notation for (Z)-2-fluorohept-2-enoic acid?
The canonical SMILES for (Z)-2-fluorohept-2-enoic acid is CCCC/C=C(\F)C(=O)O.
What is the InChIKey of (Z)-2-fluorohept-2-enoic acid?
The InChIKey is LYFUXBOXKGWOCX-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H11FO2/c1-2-3-4-5-6(8)7(9)10/h5H,2-4H2,1H3,(H,9,10)/b6-5-.
What are the key properties of (Z)-2-fluorohept-2-enoic acid?
(Z)-2-fluorohept-2-enoic acid has a molecular weight of 146.16 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluorohept-2-enoic acid is sourced from PubChem (CID 14691011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).