(2E)-2-[(4-fluorophenyl)methylidene]heptanal

C14H17FO — CID 135262924

IUPAC(2E)-2-[(4-fluorophenyl)methylidene]heptanal
SMILESCCCCC/C(C=O)=C\c1ccc(F)cc1
InChIInChI=1S/C14H17FO/c1-2-3-4-5-13(11-16)10-12-6-8-14(15)9-7-12/h6-11H,2-5H2,1H3/b13-10+
InChIKeyWUJVLOJBPRZJFW-JLHYYAGUSA-N
MW220.29 g/mol
LogP3.99
Rot. Bonds6

About (2E)-2-[(4-fluorophenyl)methylidene]heptanal

(2E)-2-[(4-fluorophenyl)methylidene]heptanal (PubChem CID 135262924) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is (2E)-2-[(4-fluorophenyl)methylidene]heptanal.

Molecular Properties

Compound Name(2E)-2-[(4-fluorophenyl)methylidene]heptanal
PubChem CID135262924
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name(2E)-2-[(4-fluorophenyl)methylidene]heptanal
SMILESCCCCC/C(C=O)=C\c1ccc(F)cc1
InChIInChI=1S/C14H17FO/c1-2-3-4-5-13(11-16)10-12-6-8-14(15)9-7-12/h6-11H,2-5H2,1H3/b13-10+
InChIKeyWUJVLOJBPRZJFW-JLHYYAGUSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E,4E)-4-[(4-fluorophenyl)methylidene]-2-methylnon-2-enoic acid
CID 175798929
(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid
CID 135262726
(E,6E)-6-[(4-fluorophenyl)methylidene]undec-4-en-3-one
CID 167589505
methyl 4-[(4-fluorophenyl)methylidene]non-2-enoate
CID 175798965
(2E)-2-[(4-nitrophenyl)methylidene]decanal
CID 15437773
ethyl (E,4E)-4-[(4-fluorophenyl)methylidene]-2-methyldec-2-enoate
CID 142405635
(2E)-2-benzylideneoctanal;3-hydroxybutan-2-one
CID 174895321
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
(2E)-2-[(2-methylphenyl)methylidene]nonanal
CID 118666956
1-fluoro-4-[(E)-1-phenyloct-1-en-2-yl]benzene
CID 44521359
(2E)-2-benzylideneheptanoic acid
CID 14318164
2-(pyridin-3-ylmethylidene)hexanal
CID 54164984

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]heptanal?
The IUPAC name of (2E)-2-[(4-fluorophenyl)methylidene]heptanal (CID 135262924) is (2E)-2-[(4-fluorophenyl)methylidene]heptanal.
What is the SMILES notation for (2E)-2-[(4-fluorophenyl)methylidene]heptanal?
The canonical SMILES for (2E)-2-[(4-fluorophenyl)methylidene]heptanal is CCCCC/C(C=O)=C\c1ccc(F)cc1.
What is the InChIKey of (2E)-2-[(4-fluorophenyl)methylidene]heptanal?
The InChIKey is WUJVLOJBPRZJFW-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H17FO/c1-2-3-4-5-13(11-16)10-12-6-8-14(15)9-7-12/h6-11H,2-5H2,1H3/b13-10+.
What are the key properties of (2E)-2-[(4-fluorophenyl)methylidene]heptanal?
(2E)-2-[(4-fluorophenyl)methylidene]heptanal has a molecular weight of 220.29 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-fluorophenyl)methylidene]heptanal is sourced from PubChem (CID 135262924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).