3-fluoro-7-methylidenecyclohepta-1,3,5-triene

C8H7F — CID 163960289

IUPAC3-fluoro-7-methylidenecyclohepta-1,3,5-triene
SMILESC=C1C=CC=C(F)C=C1
InChIInChI=1S/C8H7F/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H2
InChIKeySGVPIEOSXJRCJW-UHFFFAOYSA-N
MW122.14 g/mol
LogP2.52
Rot. Bonds

About 3-fluoro-7-methylidenecyclohepta-1,3,5-triene

3-fluoro-7-methylidenecyclohepta-1,3,5-triene (PubChem CID 163960289) has the molecular formula C8H7F and a molecular weight of 122.14 g/mol. Its IUPAC name is 3-fluoro-7-methylidenecyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-fluoro-7-methylidenecyclohepta-1,3,5-triene
PubChem CID163960289
Molecular FormulaC8H7F
Molecular Weight122.14 g/mol
Exact Mass122.05
IUPAC Name3-fluoro-7-methylidenecyclohepta-1,3,5-triene
SMILESC=C1C=CC=C(F)C=C1
InChIInChI=1S/C8H7F/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H2
InChIKeySGVPIEOSXJRCJW-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.14
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4Z,7Z,10Z,13Z)-3,6,9,12,15-pentamethylidenecyclopentadeca-1,4,7,10,13-pentaene
CID 90931509
CID 101068244
CID 101068244
CID 100988554
CID 100988554
(5Z,7Z)-4-methylidenebicyclo[8.2.0]dodeca-1(10),2,5,7-tetraene
CID 174278772
1-methyl-3-(5-methylidenecyclohepta-1,3,6-trien-1-yl)sulfanylpyrrolidine-2,5-dione
CID 163464251
1,2-dihydroazulene;fulvene
CID 173400201
(5E)-2-fluoro-5-(3-fluorocyclopenta-2,4-dien-1-ylidene)cyclopenta-1,3-diene
CID 45090826
7-(4-cyclopropylcyclobuta-1,3-dien-1-yl)-3-fluorocyclohepta-1,3,5-triene
CID 139449371
ethane;5-fluoro-1-methylcyclohepta-1,3,5-triene
CID 145198191
3-(benzenesulfonyl)-3-(5-methylidenecyclohepta-1,3,6-trien-1-yl)pyrrolidine
CID 134374206
CID 101340469
CID 101340469
1-iodyl-5-methylidenecyclopenta-1,3-diene
CID 140968042

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-methylidenecyclohepta-1,3,5-triene?
The IUPAC name of 3-fluoro-7-methylidenecyclohepta-1,3,5-triene (CID 163960289) is 3-fluoro-7-methylidenecyclohepta-1,3,5-triene.
What is the SMILES notation for 3-fluoro-7-methylidenecyclohepta-1,3,5-triene?
The canonical SMILES for 3-fluoro-7-methylidenecyclohepta-1,3,5-triene is C=C1C=CC=C(F)C=C1.
What is the InChIKey of 3-fluoro-7-methylidenecyclohepta-1,3,5-triene?
The InChIKey is SGVPIEOSXJRCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F/c1-7-3-2-4-8(9)6-5-7/h2-6H,1H2.
What are the key properties of 3-fluoro-7-methylidenecyclohepta-1,3,5-triene?
3-fluoro-7-methylidenecyclohepta-1,3,5-triene has a molecular weight of 122.14 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-methylidenecyclohepta-1,3,5-triene is sourced from PubChem (CID 163960289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).