4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene

C10H9F — CID 91274206

IUPAC4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene
SMILESC=C(C)C1=CC=C(F)C=C=C1
InChIInChI=1S/C10H9F/c1-8(2)9-4-3-5-10(11)7-6-9/h4-7H,1H2,2H3
InChIKeyMVTGLSWVKPAPMD-UHFFFAOYSA-N
MW148.18 g/mol
LogP3.07
Rot. Bonds1

About 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene

4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene (PubChem CID 91274206) has the molecular formula C10H9F and a molecular weight of 148.18 g/mol. Its IUPAC name is 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene.

Molecular Properties

Compound Name4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene
PubChem CID91274206
Molecular FormulaC10H9F
Molecular Weight148.18 g/mol
Exact Mass148.07
IUPAC Name4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene
SMILESC=C(C)C1=CC=C(F)C=C=C1
InChIInChI=1S/C10H9F/c1-8(2)9-4-3-5-10(11)7-6-9/h4-7H,1H2,2H3
InChIKeyMVTGLSWVKPAPMD-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,4-Hexadiene, 3,4-dimethyl-, (E,Z)-
CID 5368977
(E,E)-2,4-Hexadiene, 3,4-dimethyl-
CID 5462959
(E)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463557
1,2,3-Trimethylcyclopentadiene
CID 138063
2,6-Dimethyl-1,3,6-heptatriene
CID 5368331
5,6,6,7,7,8,8,8-Octafluoro-2-methylocta-2,4-diene
CID 71429349
1,2,3,4-Tetramethyl-butadien
CID 137590
2,3-Dimethyl-1,3-cyclohexadiene
CID 521155
2,4-Hexadiene, 3,4-dimethyl-, (Z,Z)-
CID 5368954
(Z)-2,4-Hexadiene, 2,4-dimethyl-
CID 5463556
3-Ethyl-hexadiene
CID 16384
1,4-Cyclohexadiene, 1,4-dimethyl-3,6-bis(methylene)-
CID 143960

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene?
The IUPAC name of 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene (CID 91274206) is 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene.
What is the SMILES notation for 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene?
The canonical SMILES for 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene is C=C(C)C1=CC=C(F)C=C=C1.
What is the InChIKey of 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene?
The InChIKey is MVTGLSWVKPAPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F/c1-8(2)9-4-3-5-10(11)7-6-9/h4-7H,1H2,2H3.
What are the key properties of 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene?
4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene has a molecular weight of 148.18 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-7-prop-1-en-2-ylcyclohepta-1,2,4,6-tetraene is sourced from PubChem (CID 91274206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).