1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene

C21H30F2 — CID 19108157

IUPAC1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene
SMILESCCCCCCCCCC1CC=C(c2cccc(F)c2F)CC1
InChIInChI=1S/C21H30F2/c1-2-3-4-5-6-7-8-10-17-13-15-18(16-14-17)19-11-9-12-20(22)21(19)23/h9,11-12,15,17H,2-8,10,13-14,16H2,1H3
InChIKeyDDQLZKVWVDQQOA-UHFFFAOYSA-N
MW320.47 g/mol
LogP7.29
Rot. Bonds9

About 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene

1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene (PubChem CID 19108157) has the molecular formula C21H30F2 and a molecular weight of 320.47 g/mol. Its IUPAC name is 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene
PubChem CID19108157
Molecular FormulaC21H30F2
Molecular Weight320.47 g/mol
Exact Mass320.23
IUPAC Name1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene
SMILESCCCCCCCCCC1CC=C(c2cccc(F)c2F)CC1
InChIInChI=1S/C21H30F2/c1-2-3-4-5-6-7-8-10-17-13-15-18(16-14-17)19-11-9-12-20(22)21(19)23/h9,11-12,15,17H,2-8,10,13-14,16H2,1H3
InChIKeyDDQLZKVWVDQQOA-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
CID 14495643
1-(4-heptylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538103
1-(4-decylcyclohexen-1-yl)-4-(4-hexylcyclohexen-1-yl)benzene
CID 20538384
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
4-bromo-2-fluoro-1-(4-pentylcyclohexen-1-yl)benzene
CID 58687490
2-chloro-3-fluoro-1-(4-heptylcyclohexen-1-yl)-4-methoxybenzene
CID 59257444
1-(4-hexylcyclohexen-1-yl)-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
CID 20538280
[4-[2,3-difluoro-4-(4-pentylcyclohexen-1-yl)phenyl]phenyl]-trimethylsilane;[4-(2,3-difluorophenyl)phenyl]-trimethylsilane;4-methylbenzenesulfonic acid;4-pentylcyclohexan-1-one
CID 162089693
1-butyl-3-chloro-2-fluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257379
1-(4-pentylcyclohexen-1-yl)-4-phenylbenzene
CID 5135294
2,3-difluoro-1-[4-[2-fluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-4-methylbenzene
CID 67731127

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene?
The IUPAC name of 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene (CID 19108157) is 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene?
The canonical SMILES for 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene is CCCCCCCCCC1CC=C(c2cccc(F)c2F)CC1.
What is the InChIKey of 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene?
The InChIKey is DDQLZKVWVDQQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F2/c1-2-3-4-5-6-7-8-10-17-13-15-18(16-14-17)19-11-9-12-20(22)21(19)23/h9,11-12,15,17H,2-8,10,13-14,16H2,1H3.
What are the key properties of 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene?
1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene has a molecular weight of 320.47 g/mol, XLogP of 7.29, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene is sourced from PubChem (CID 19108157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).