(Z)-5-(2-fluorophenyl)pent-3-enal

C11H11FO — CID 117267930

IUPAC(Z)-5-(2-fluorophenyl)pent-3-enal
SMILESO=CC/C=C\Cc1ccccc1F
InChIInChI=1S/C11H11FO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-9H,5-6H2/b2-1-
InChIKeyANRVNAYWHCZAQU-UPHRSURJSA-N
MW178.21 g/mol
LogP2.51
Rot. Bonds4

About (Z)-5-(2-fluorophenyl)pent-3-enal

(Z)-5-(2-fluorophenyl)pent-3-enal (PubChem CID 117267930) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (Z)-5-(2-fluorophenyl)pent-3-enal.

Molecular Properties

Compound Name(Z)-5-(2-fluorophenyl)pent-3-enal
PubChem CID117267930
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(Z)-5-(2-fluorophenyl)pent-3-enal
SMILESO=CC/C=C\Cc1ccccc1F
InChIInChI=1S/C11H11FO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-9H,5-6H2/b2-1-
InChIKeyANRVNAYWHCZAQU-UPHRSURJSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-fluorophenyl)pent-3-en-1-amine
CID 79590269
methyl (E)-5-(2-fluorophenyl)pent-3-enoate
CID 101147953
CID 174939744
CID 174939744
2-(2,3-difluorophenyl)acetaldehyde
CID 22667341
ethyl (E)-4-(2-fluorophenyl)but-2-enoate
CID 67059339
S-[(2-fluorophenyl)methyl] methanethioate
CID 173104567
azane;2-(2,3-difluorophenyl)acetaldehyde
CID 87319362
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-chloro-3-(2-fluorophenyl)propanal
CID 62393370
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119

Frequently Asked Questions

What is the IUPAC name of (Z)-5-(2-fluorophenyl)pent-3-enal?
The IUPAC name of (Z)-5-(2-fluorophenyl)pent-3-enal (CID 117267930) is (Z)-5-(2-fluorophenyl)pent-3-enal.
What is the SMILES notation for (Z)-5-(2-fluorophenyl)pent-3-enal?
The canonical SMILES for (Z)-5-(2-fluorophenyl)pent-3-enal is O=CC/C=C\Cc1ccccc1F.
What is the InChIKey of (Z)-5-(2-fluorophenyl)pent-3-enal?
The InChIKey is ANRVNAYWHCZAQU-UPHRSURJSA-N. The full InChI is InChI=1S/C11H11FO/c12-11-8-4-3-7-10(11)6-2-1-5-9-13/h1-4,7-9H,5-6H2/b2-1-.
What are the key properties of (Z)-5-(2-fluorophenyl)pent-3-enal?
(Z)-5-(2-fluorophenyl)pent-3-enal has a molecular weight of 178.21 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(2-fluorophenyl)pent-3-enal is sourced from PubChem (CID 117267930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).