(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal

C10H9FO2 — CID 10965119

IUPAC(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
SMILESCOc1ccc(/C=C(\F)C=O)cc1
InChIInChI=1S/C10H9FO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-7H,1H3/b9-6-
InChIKeyAABKBJGYLZYSBG-TWGQIWQCSA-N
MW180.18 g/mol
LogP2.20
Rot. Bonds3

About (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal

(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal (PubChem CID 10965119) has the molecular formula C10H9FO2 and a molecular weight of 180.18 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
PubChem CID10965119
Molecular FormulaC10H9FO2
Molecular Weight180.18 g/mol
Exact Mass180.06
IUPAC Name(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal
SMILESCOc1ccc(/C=C(\F)C=O)cc1
InChIInChI=1S/C10H9FO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-7H,1H3/b9-6-
InChIKeyAABKBJGYLZYSBG-TWGQIWQCSA-N
XLogP2.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,3E)-2,3-bis[(4-methoxyphenyl)methylidene]butanedial
CID 12694230
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
N-[3-formamido-1,4-bis(4-methoxyphenyl)buta-1,3-dien-2-yl]formamide
CID 72970930
2,3-bis[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]butanedial
CID 72968223
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
N-[1,4-bis(4-methoxyphenyl)-3-(methylideneamino)buta-1,3-dien-2-yl]methanimine
CID 162990023
methyl (E)-3-(4-methoxyphenyl)-2-(pentafluoro-λ6-sulfanyl)prop-2-enoate
CID 132510965
1-methoxy-4-[(Z)-2,4,4,4-tetrafluorobut-1-enyl]benzene
CID 177473841

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal?
The IUPAC name of (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal (CID 10965119) is (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal.
What is the SMILES notation for (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal?
The canonical SMILES for (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal is COc1ccc(/C=C(\F)C=O)cc1.
What is the InChIKey of (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal?
The InChIKey is AABKBJGYLZYSBG-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H9FO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-7H,1H3/b9-6-.
What are the key properties of (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal?
(Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal has a molecular weight of 180.18 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(4-methoxyphenyl)prop-2-enal is sourced from PubChem (CID 10965119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).