3-fluoro-1-propylcyclohexa-1,3-diene

C9H13F — CID 21198720

IUPAC3-fluoro-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC(F)=CCC1
InChIInChI=1S/C9H13F/c1-2-4-8-5-3-6-9(10)7-8/h6-7H,2-5H2,1H3
InChIKeyHDSNOEQYJQICAR-UHFFFAOYSA-N
MW140.20 g/mol
LogP3.36
Rot. Bonds2

About 3-fluoro-1-propylcyclohexa-1,3-diene

3-fluoro-1-propylcyclohexa-1,3-diene (PubChem CID 21198720) has the molecular formula C9H13F and a molecular weight of 140.20 g/mol. Its IUPAC name is 3-fluoro-1-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name3-fluoro-1-propylcyclohexa-1,3-diene
PubChem CID21198720
Molecular FormulaC9H13F
Molecular Weight140.20 g/mol
Exact Mass140.10
IUPAC Name3-fluoro-1-propylcyclohexa-1,3-diene
SMILESCCCC1=CC(F)=CCC1
InChIInChI=1S/C9H13F/c1-2-4-8-5-3-6-9(10)7-8/h6-7H,2-5H2,1H3
InChIKeyHDSNOEQYJQICAR-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.20
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Vinylcyclohexene
CID 17497
p-Mentha-1,3,8-triene
CID 176983
Sylveterpinolene
CID 524200
(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
Mentha-1,4,8-triene
CID 527141
1,3-Cyclohexadiene, 1,4-dimethyl-
CID 141267
1,3-Dimethyldihydrobenzene
CID 138296
(3E)-3-ethylidenecyclohexene
CID 12245586
1-[(Z)-but-2-enyl]cyclohexa-1,3-diene
CID 163720712
Pentylcyclohexadiene
CID 20453786
1-Methyl-6-methylenecyclohexene
CID 13048025
1-Methyl-3-methylenecyclohexene
CID 13542416

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-propylcyclohexa-1,3-diene?
The IUPAC name of 3-fluoro-1-propylcyclohexa-1,3-diene (CID 21198720) is 3-fluoro-1-propylcyclohexa-1,3-diene.
What is the SMILES notation for 3-fluoro-1-propylcyclohexa-1,3-diene?
The canonical SMILES for 3-fluoro-1-propylcyclohexa-1,3-diene is CCCC1=CC(F)=CCC1.
What is the InChIKey of 3-fluoro-1-propylcyclohexa-1,3-diene?
The InChIKey is HDSNOEQYJQICAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F/c1-2-4-8-5-3-6-9(10)7-8/h6-7H,2-5H2,1H3.
What are the key properties of 3-fluoro-1-propylcyclohexa-1,3-diene?
3-fluoro-1-propylcyclohexa-1,3-diene has a molecular weight of 140.20 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-propylcyclohexa-1,3-diene is sourced from PubChem (CID 21198720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).