1,5-Difluoro-2-propylcyclohexa-1,3-diene

C9H12F2 — CID 18989731

IUPAC1,5-difluoro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=C(CC(C=C1)F)F
InChIInChI=1S/C9H12F2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-5,8H,2-3,6H2,1H3
InChIKeyARSPUWYJBOLGRI-UHFFFAOYSA-N
MW158.19 g/mol
LogP2.80
Rot. Bonds2

About 1,5-Difluoro-2-propylcyclohexa-1,3-diene

1,5-Difluoro-2-propylcyclohexa-1,3-diene (PubChem CID 18989731) has the molecular formula C9H12F2 and a molecular weight of 158.19 g/mol. Its IUPAC name is 1,5-difluoro-2-propylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-Difluoro-2-propylcyclohexa-1,3-diene
PubChem CID18989731
Molecular FormulaC9H12F2
Molecular Weight158.19 g/mol
Exact Mass158.09
IUPAC Name1,5-difluoro-2-propylcyclohexa-1,3-diene
SMILESCCCC1=C(CC(C=C1)F)F
InChIInChI=1S/C9H12F2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-5,8H,2-3,6H2,1H3
InChIKeyARSPUWYJBOLGRI-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity192

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylcyclohexa-1,3-diene
CID 121731
Mentha-1,4,8-triene
CID 527141
(E)-1,3-Heptadiene, 4-methyl-
CID 5368944
(2-Methylprop-1-enyl)-cyclohexa-1,3-diene
CID 523863
1-[(Z)-but-2-enyl]cyclohexa-1,3-diene
CID 163720712
1,3-Dimethyldihydrobenzene
CID 138296
(3E)-3-ethylidenecyclohexene
CID 12245586
2-Ethyl-1,3-cyclohexadiene
CID 14226017
1-But-2-enylcyclohexa-1,3-diene
CID 162866956
5,6-Difluorobenzo[8]annulene
CID 90938062
4-Methyl-1,3-heptadiene, cis
CID 12586158
Vinylcyclohexadiene
CID 3028823

Frequently Asked Questions

What is the IUPAC name of 1,5-Difluoro-2-propylcyclohexa-1,3-diene?
The IUPAC name of 1,5-Difluoro-2-propylcyclohexa-1,3-diene (CID 18989731) is 1,5-difluoro-2-propylcyclohexa-1,3-diene.
What is the SMILES notation for 1,5-Difluoro-2-propylcyclohexa-1,3-diene?
The canonical SMILES for 1,5-Difluoro-2-propylcyclohexa-1,3-diene is CCCC1=C(CC(C=C1)F)F.
What is the InChIKey of 1,5-Difluoro-2-propylcyclohexa-1,3-diene?
The InChIKey is ARSPUWYJBOLGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2/c1-2-3-7-4-5-8(10)6-9(7)11/h4-5,8H,2-3,6H2,1H3.
What are the key properties of 1,5-Difluoro-2-propylcyclohexa-1,3-diene?
1,5-Difluoro-2-propylcyclohexa-1,3-diene has a molecular weight of 158.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-Difluoro-2-propylcyclohexa-1,3-diene is sourced from PubChem (CID 18989731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).