1-fluoro-6-methylidenecyclohexa-1,4-diene

C7H7F — CID 135427159

IUPAC1-fluoro-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CCC=C1F
InChIInChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2,4-5H,1,3H2
InChIKeyYHOKJYXLLPMASH-UHFFFAOYSA-N
MW110.13 g/mol
LogP2.36
Rot. Bonds

About 1-fluoro-6-methylidenecyclohexa-1,4-diene

1-fluoro-6-methylidenecyclohexa-1,4-diene (PubChem CID 135427159) has the molecular formula C7H7F and a molecular weight of 110.13 g/mol. Its IUPAC name is 1-fluoro-6-methylidenecyclohexa-1,4-diene.

Molecular Properties

Compound Name1-fluoro-6-methylidenecyclohexa-1,4-diene
PubChem CID135427159
Molecular FormulaC7H7F
Molecular Weight110.13 g/mol
Exact Mass110.05
IUPAC Name1-fluoro-6-methylidenecyclohexa-1,4-diene
SMILESC=C1C=CCC=C1F
InChIInChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2,4-5H,1,3H2
InChIKeyYHOKJYXLLPMASH-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.13
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(NZ)-N-(7-methylidenecyclohepta-2,5-dien-1-ylidene)hydroxylamine
CID 143706516
CID 173141588
CID 173141588
3-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)-2H-furan-5-one
CID 143883715
2-chloro-4-fluoro-3-methylcyclohepta-1,3,5-triene
CID 142202431
2-cyclopenta-1,4-dien-1-ylpropane-2-thiol
CID 174414235
4-(chloromethyl)-2-fluoro-3-(2-methylbutyl)cyclohepta-1,3,5-triene
CID 170072210
ethane;(3Z,6Z)-3-methyl-8-methylidene-2,5-dihydro-1-benzoxecine
CID 143232241
2-methylidenecyclopent-3-en-1-one
CID 15805386
N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
CID 163815905
cyclopenta-1,4-dien-1-yl(methyl)silane
CID 123753309
1-(7-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanamine
CID 142050488
6-chloro-4-N-(2,7-difluorocyclohepta-1,3,6-trien-1-yl)pyrimidine-4,5-diamine
CID 139313936

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-methylidenecyclohexa-1,4-diene?
The IUPAC name of 1-fluoro-6-methylidenecyclohexa-1,4-diene (CID 135427159) is 1-fluoro-6-methylidenecyclohexa-1,4-diene.
What is the SMILES notation for 1-fluoro-6-methylidenecyclohexa-1,4-diene?
The canonical SMILES for 1-fluoro-6-methylidenecyclohexa-1,4-diene is C=C1C=CCC=C1F.
What is the InChIKey of 1-fluoro-6-methylidenecyclohexa-1,4-diene?
The InChIKey is YHOKJYXLLPMASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F/c1-6-4-2-3-5-7(6)8/h2,4-5H,1,3H2.
What are the key properties of 1-fluoro-6-methylidenecyclohexa-1,4-diene?
1-fluoro-6-methylidenecyclohexa-1,4-diene has a molecular weight of 110.13 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methylidenecyclohexa-1,4-diene is sourced from PubChem (CID 135427159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).