4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene

C16H20F2 — CID 157471517

IUPAC4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene
SMILESFc1ccc(CCCCC2=CCCCC2)cc1F
InChIInChI=1S/C16H20F2/c17-15-11-10-14(12-16(15)18)9-5-4-8-13-6-2-1-3-7-13/h6,10-12H,1-5,7-9H2
InChIKeyBVCANQRZIXAQOH-UHFFFAOYSA-N
MW250.33 g/mol
LogP5.18
Rot. Bonds5

About 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene

4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene (PubChem CID 157471517) has the molecular formula C16H20F2 and a molecular weight of 250.33 g/mol. Its IUPAC name is 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene
PubChem CID157471517
Molecular FormulaC16H20F2
Molecular Weight250.33 g/mol
Exact Mass250.15
IUPAC Name4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene
SMILESFc1ccc(CCCCC2=CCCCC2)cc1F
InChIInChI=1S/C16H20F2/c17-15-11-10-14(12-16(15)18)9-5-4-8-13-6-2-1-3-7-13/h6,10-12H,1-5,7-9H2
InChIKeyBVCANQRZIXAQOH-UHFFFAOYSA-N
XLogP5.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.33
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(cyclopenten-1-yl)butyl]cyclopentene
CID 10420053
1-(cyclohexen-1-yl)-3-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661708
N-[4-(3,4-difluorophenyl)butyl]cyclopentanamine
CID 98016483
4-(5-bromopentyl)-1,2-difluorobenzene
CID 57182682
1-octylcyclohexene
CID 519088
1-pentylcyclododecene
CID 150654776
1-nonylcyclooctene
CID 151486862
1-hexylcycloheptene
CID 15587826
1-hex-5-enylcyclohexene
CID 123683483
1-butylcyclononene
CID 56981158
[4-[2-(cyclohexen-1-yl)ethyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 113073154
11-(3,4-difluorophenyl)undecanal
CID 123357909

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene (CID 157471517) is 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene is Fc1ccc(CCCCC2=CCCCC2)cc1F.
What is the InChIKey of 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene?
The InChIKey is BVCANQRZIXAQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2/c17-15-11-10-14(12-16(15)18)9-5-4-8-13-6-2-1-3-7-13/h6,10-12H,1-5,7-9H2.
What are the key properties of 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene?
4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene has a molecular weight of 250.33 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexen-1-yl)butyl]-1,2-difluorobenzene is sourced from PubChem (CID 157471517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).