(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene

C8H10F2 — CID 143399324

IUPAC(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C(F)=C(F)\C=C/C
InChIInChI=1S/C8H10F2/c1-4-5-7(9)8(10)6(2)3/h4-5H,2H2,1,3H3/b5-4-,8-7-
InChIKeyIOESDBXRMSCLNB-UTOQUPLUSA-N
MW144.16 g/mol
LogP3.29
Rot. Bonds2

About (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene

(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene (PubChem CID 143399324) has the molecular formula C8H10F2 and a molecular weight of 144.16 g/mol. Its IUPAC name is (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
PubChem CID143399324
Molecular FormulaC8H10F2
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
SMILESC=C(C)/C(F)=C(F)\C=C/C
InChIInChI=1S/C8H10F2/c1-4-5-7(9)8(10)6(2)3/h4-5H,2H2,1,3H3/b5-4-,8-7-
InChIKeyIOESDBXRMSCLNB-UTOQUPLUSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4E)-2,3-difluorohexa-2,4-diene
CID 142531595
(2Z,4Z)-3-fluorohexa-2,4-diene-2-thiol
CID 167239113
methyl (2Z,4Z)-3-fluoro-2-prop-1-en-2-ylhexa-2,4-dienoate
CID 145277565
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(2E,4E,6E)-3,5-difluoro-4-methylocta-2,4,6-triene
CID 88889266
(4E,6Z)-4-ethenyl-5-fluoro-3-methylideneocta-1,4,6-triene
CID 143567445
4-fluoro-5-methylhepta-2,4-diene
CID 123466906
(2E,4E,6E)-2,5-difluoro-4-methylocta-2,4,6-triene
CID 88928216
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424
ethane;(3E)-2-methylpenta-1,3-diene
CID 143682849

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene (CID 143399324) is (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene is C=C(C)/C(F)=C(F)\C=C/C.
What is the InChIKey of (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene?
The InChIKey is IOESDBXRMSCLNB-UTOQUPLUSA-N. The full InChI is InChI=1S/C8H10F2/c1-4-5-7(9)8(10)6(2)3/h4-5H,2H2,1,3H3/b5-4-,8-7-.
What are the key properties of (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene?
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene has a molecular weight of 144.16 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene is sourced from PubChem (CID 143399324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).