(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol

C9H13FO — CID 143420580

IUPAC(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol
SMILESC=C/C(=C(/F)C(=C)C)C(C)O
InChIInChI=1S/C9H13FO/c1-5-8(7(4)11)9(10)6(2)3/h5,7,11H,1-2H2,3-4H3/b9-8-
InChIKeyVSRKGHJZNMIDEQ-HJWRWDBZSA-N
MW156.20 g/mol
LogP2.35
Rot. Bonds3

About (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol

(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol (PubChem CID 143420580) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol.

Molecular Properties

Compound Name(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol
PubChem CID143420580
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol
SMILESC=C/C(=C(/F)C(=C)C)C(C)O
InChIInChI=1S/C9H13FO/c1-5-8(7(4)11)9(10)6(2)3/h5,7,11H,1-2H2,3-4H3/b9-8-
InChIKeyVSRKGHJZNMIDEQ-HJWRWDBZSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-difluoro-3-propan-2-ylhepta-1,3,5-triene
CID 123433916
(3E,5Z)-4,5,6,7-tetrafluoro-3-methylhepta-1,3,5-triene
CID 122448094
2-methylbuta-1,3-diene;2-methylpropane
CID 19064095
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
1,1,2-trifluoro-3-methylbuta-1,3-diene
CID 18520937
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
2-fluorobuta-1,3-diene
CID 551655
(3Z)-3-fluoro-2-methyl-4-(trifluoromethoxy)hexa-1,3,5-triene
CID 145431433
3-fluoro-2-methylprop-1-ene;2-methylbuta-1,3-diene
CID 144585247
(3E)-2,4-difluoro-3-propan-2-ylhexa-1,3,5-triene
CID 145074832
(3Z,5Z)-3,5-dimethyl-4-propan-2-ylhepta-1,3,5-triene
CID 143832543
(3Z,5Z)-3,4-dichloro-5-fluoro-6,7-dimethylocta-1,3,5-triene
CID 155708974

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol?
The IUPAC name of (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol (CID 143420580) is (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol.
What is the SMILES notation for (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol?
The canonical SMILES for (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol is C=C/C(=C(/F)C(=C)C)C(C)O.
What is the InChIKey of (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol?
The InChIKey is VSRKGHJZNMIDEQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H13FO/c1-5-8(7(4)11)9(10)6(2)3/h5,7,11H,1-2H2,3-4H3/b9-8-.
What are the key properties of (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol?
(3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol has a molecular weight of 156.20 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethenyl-4-fluoro-5-methylhexa-3,5-dien-2-ol is sourced from PubChem (CID 143420580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).