(Z)-5-fluoro-2,2-dimethylhex-4-enal

C8H13FO — CID 89064728

IUPAC(Z)-5-fluoro-2,2-dimethylhex-4-enal
SMILESC/C(F)=C/CC(C)(C)C=O
InChIInChI=1S/C8H13FO/c1-7(9)4-5-8(2,3)6-10/h4,6H,5H2,1-3H3/b7-4-
InChIKeyRNCZYHVFWZGSEB-DAXSKMNVSA-N
MW144.19 g/mol
LogP2.47
Rot. Bonds3

About (Z)-5-fluoro-2,2-dimethylhex-4-enal

(Z)-5-fluoro-2,2-dimethylhex-4-enal (PubChem CID 89064728) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is (Z)-5-fluoro-2,2-dimethylhex-4-enal.

Molecular Properties

Compound Name(Z)-5-fluoro-2,2-dimethylhex-4-enal
PubChem CID89064728
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name(Z)-5-fluoro-2,2-dimethylhex-4-enal
SMILESC/C(F)=C/CC(C)(C)C=O
InChIInChI=1S/C8H13FO/c1-7(9)4-5-8(2,3)6-10/h4,6H,5H2,1-3H3/b7-4-
InChIKeyRNCZYHVFWZGSEB-DAXSKMNVSA-N
XLogP2.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethyl-2-vinyl-4-hexenal
CID 92018
2,2,5-Trimethylhex-4-enal
CID 70467
2,5-Dimethyl-2-(prop-1-enyl)hex-4-enal
CID 6365578
2,2,5,9-Tetramethyldeca-4,8-dienal
CID 103740
2-Allyl-2-ethylhex-3-enal
CID 6365629
2,5-Dimethyl-2-propenyl hex-4-enal
CID 3017374
2-Ethyl-2,5-dimethylhex-4-enal
CID 12923924
(4E)-3,3-dimethylhepta-4,6-dienal
CID 11116136
2,2-Dimethyl-4-octenal
CID 557797
2,2-Dimethylhex-4-enal
CID 14521364
2,2-Dimethyl-4-hexenal
CID 54284792
2-Ethyl-2-(prop-2-EN-1-YL)hex-3-enal
CID 3017735

Frequently Asked Questions

What is the IUPAC name of (Z)-5-fluoro-2,2-dimethylhex-4-enal?
The IUPAC name of (Z)-5-fluoro-2,2-dimethylhex-4-enal (CID 89064728) is (Z)-5-fluoro-2,2-dimethylhex-4-enal.
What is the SMILES notation for (Z)-5-fluoro-2,2-dimethylhex-4-enal?
The canonical SMILES for (Z)-5-fluoro-2,2-dimethylhex-4-enal is C/C(F)=C/CC(C)(C)C=O.
What is the InChIKey of (Z)-5-fluoro-2,2-dimethylhex-4-enal?
The InChIKey is RNCZYHVFWZGSEB-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13FO/c1-7(9)4-5-8(2,3)6-10/h4,6H,5H2,1-3H3/b7-4-.
What are the key properties of (Z)-5-fluoro-2,2-dimethylhex-4-enal?
(Z)-5-fluoro-2,2-dimethylhex-4-enal has a molecular weight of 144.19 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-fluoro-2,2-dimethylhex-4-enal is sourced from PubChem (CID 89064728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).