4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde

C11H12FNO — CID 145002079

IUPAC4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde
SMILESC=Cc1cc(C=O)c(F)cc1N(C)C
InChIInChI=1S/C11H12FNO/c1-4-8-5-9(7-14)10(12)6-11(8)13(2)3/h4-7H,1H2,2-3H3
InChIKeyMOIQGCOAXBYPKH-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.35
Rot. Bonds3

About 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde

4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde (PubChem CID 145002079) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde
PubChem CID145002079
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde
SMILESC=Cc1cc(C=O)c(F)cc1N(C)C
InChIInChI=1S/C11H12FNO/c1-4-8-5-9(7-14)10(12)6-11(8)13(2)3/h4-7H,1H2,2-3H3
InChIKeyMOIQGCOAXBYPKH-UHFFFAOYSA-N
XLogP2.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2,4,5-trifluorobenzaldehyde
CID 143152028
4,6-difluorobenzene-1,3-dicarbaldehyde
CID 11030259
4-ethenyl-3-fluorobenzaldehyde
CID 88903267
4-chloro-2-ethenyl-N,N-dimethylaniline
CID 143235220
4-ethenyl-2-fluorobenzaldehyde
CID 107430174
CID 170763162
CID 170763162
6-bromo-3-ethenyl-N,N-dimethylnaphthalen-2-amine
CID 59266361
4-(dimethylamino)-3-ethenylbenzenethiol;ethane
CID 145478997
2-ethenyl-5-fluoropyridine-4-carbaldehyde
CID 74891858
4-bromo-5-ethyl-2-fluorobenzaldehyde
CID 139490493
6-fluoro-1,3-benzodioxole-5-carbaldehyde
CID 14384443
2,4-difluoro-5-phosphanylbenzaldehyde
CID 169189321

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde?
The IUPAC name of 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde (CID 145002079) is 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde?
The canonical SMILES for 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde is C=Cc1cc(C=O)c(F)cc1N(C)C.
What is the InChIKey of 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde?
The InChIKey is MOIQGCOAXBYPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-4-8-5-9(7-14)10(12)6-11(8)13(2)3/h4-7H,1H2,2-3H3.
What are the key properties of 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde?
4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde has a molecular weight of 193.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-5-ethenyl-2-fluorobenzaldehyde is sourced from PubChem (CID 145002079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).