(2Z)-2-(3-fluorobutan-2-ylidene)heptanal

C11H19FO — CID 88868773

IUPAC(2Z)-2-(3-fluorobutan-2-ylidene)heptanal
SMILESCCCCC/C(C=O)=C(\C)C(C)F
InChIInChI=1S/C11H19FO/c1-4-5-6-7-11(8-13)9(2)10(3)12/h8,10H,4-7H2,1-3H3/b11-9-
InChIKeySNTOXYAMFUSEBS-LUAWRHEFSA-N
MW186.27 g/mol
LogP3.44
Rot. Bonds6

About (2Z)-2-(3-fluorobutan-2-ylidene)heptanal

(2Z)-2-(3-fluorobutan-2-ylidene)heptanal (PubChem CID 88868773) has the molecular formula C11H19FO and a molecular weight of 186.27 g/mol. Its IUPAC name is (2Z)-2-(3-fluorobutan-2-ylidene)heptanal.

Molecular Properties

Compound Name(2Z)-2-(3-fluorobutan-2-ylidene)heptanal
PubChem CID88868773
Molecular FormulaC11H19FO
Molecular Weight186.27 g/mol
Exact Mass186.14
IUPAC Name(2Z)-2-(3-fluorobutan-2-ylidene)heptanal
SMILESCCCCC/C(C=O)=C(\C)C(C)F
InChIInChI=1S/C11H19FO/c1-4-5-6-7-11(8-13)9(2)10(3)12/h8,10H,4-7H2,1-3H3/b11-9-
InChIKeySNTOXYAMFUSEBS-LUAWRHEFSA-N
XLogP3.44
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 53.44
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

2,3-dibutylhept-2-enal
CID 13086436
(2Z)-2-(1-phenylethylidene)heptadecanal
CID 142767247
(E)-3,4,4,5,5,6,6,7,7,8,8,8-dodecafluoro-2-pentyloct-2-enal
CID 15048144
2-methylhept-1-en-1-ol
CID 141483452
2-sulfanylidenenonanal
CID 173275971
3-methyloct-2-enal
CID 54333143
5-amino-2-propan-2-ylidenepentanal
CID 173295367
acetaldehyde;undecan-2-one
CID 87112507
(3S)-3-methylnonane-2,4-dione
CID 76962575
4-methyltetradec-3-en-2-ol
CID 71428210
(E,3S)-3,5-dimethylnon-4-enal
CID 100974703
[(2R)-3-oxooctadecan-2-yl]azanium chloride
CID 158532608

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-fluorobutan-2-ylidene)heptanal?
The IUPAC name of (2Z)-2-(3-fluorobutan-2-ylidene)heptanal (CID 88868773) is (2Z)-2-(3-fluorobutan-2-ylidene)heptanal.
What is the SMILES notation for (2Z)-2-(3-fluorobutan-2-ylidene)heptanal?
The canonical SMILES for (2Z)-2-(3-fluorobutan-2-ylidene)heptanal is CCCCC/C(C=O)=C(\C)C(C)F.
What is the InChIKey of (2Z)-2-(3-fluorobutan-2-ylidene)heptanal?
The InChIKey is SNTOXYAMFUSEBS-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H19FO/c1-4-5-6-7-11(8-13)9(2)10(3)12/h8,10H,4-7H2,1-3H3/b11-9-.
What are the key properties of (2Z)-2-(3-fluorobutan-2-ylidene)heptanal?
(2Z)-2-(3-fluorobutan-2-ylidene)heptanal has a molecular weight of 186.27 g/mol, XLogP of 3.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-fluorobutan-2-ylidene)heptanal is sourced from PubChem (CID 88868773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).