1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene

C14H15F — CID 139812660

IUPAC1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCCC1=CC(c2ccc(F)cc2)=CC1
InChIInChI=1S/C14H15F/c1-2-3-11-4-5-13(10-11)12-6-8-14(15)9-7-12/h5-10H,2-4H2,1H3
InChIKeyHXWOQVVOLVDINT-UHFFFAOYSA-N
MW202.27 g/mol
LogP4.34
Rot. Bonds3

About 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene

1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene (PubChem CID 139812660) has the molecular formula C14H15F and a molecular weight of 202.27 g/mol. Its IUPAC name is 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
PubChem CID139812660
Molecular FormulaC14H15F
Molecular Weight202.27 g/mol
Exact Mass202.12
IUPAC Name1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
SMILESCCCC1=CC(c2ccc(F)cc2)=CC1
InChIInChI=1S/C14H15F/c1-2-3-11-4-5-13(10-11)12-6-8-14(15)9-7-12/h5-10H,2-4H2,1H3
InChIKeyHXWOQVVOLVDINT-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene
CID 139812665
1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
CID 139812666
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
tetrakis(1,3-dipropylcyclopenta-1,3-diene);zirconium;dichloride
CID 22617565
1-fluoro-4-propylbenzene
CID 2737505
1-ethyl-3-(4-ethylcyclopenta-1,4-dien-1-yl)benzene
CID 139831018
2-(4-fluorophenyl)-4-propyl-1,3-thiazole
CID 115641443
8-(4-fluorophenyl)-4-propyl-2-azatricyclo[3.2.2.01,6]nona-3,5,8-triene
CID 166689095
1-(2,4-diethylcyclopenta-1,4-dien-1-yl)-4-fluorobenzene
CID 139929594
4-(4-fluorophenyl)-2-propylphenol
CID 22458869
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
The IUPAC name of 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene (CID 139812660) is 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
The canonical SMILES for 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene is CCCC1=CC(c2ccc(F)cc2)=CC1.
What is the InChIKey of 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
The InChIKey is HXWOQVVOLVDINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F/c1-2-3-11-4-5-13(10-11)12-6-8-14(15)9-7-12/h5-10H,2-4H2,1H3.
What are the key properties of 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene?
1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene has a molecular weight of 202.27 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-propylcyclopenta-1,4-dien-1-yl)benzene is sourced from PubChem (CID 139812660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).