1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane

C12H20F2 — CID 18344064

IUPAC1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane
SMILESFCC/C=C/C1CCC(CCF)CC1
InChIInChI=1S/C12H20F2/c13-9-2-1-3-11-4-6-12(7-5-11)8-10-14/h1,3,11-12H,2,4-10H2/b3-1+
InChIKeyYUQJAGDQOPTBQB-HNQUOIGGSA-N
MW202.29 g/mol
LogP4.07
Rot. Bonds5

About 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane

1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane (PubChem CID 18344064) has the molecular formula C12H20F2 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane.

Molecular Properties

Compound Name1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane
PubChem CID18344064
Molecular FormulaC12H20F2
Molecular Weight202.29 g/mol
Exact Mass202.15
IUPAC Name1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane
SMILESFCC/C=C/C1CCC(CCF)CC1
InChIInChI=1S/C12H20F2/c13-9-2-1-3-11-4-6-12(7-5-11)8-10-14/h1,3,11-12H,2,4-10H2/b3-1+
InChIKeyYUQJAGDQOPTBQB-HNQUOIGGSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane 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

Cyclohexene,3-cyclohexyl-
CID 137222
(E)-8-(trifluoromethyl)tetradec-6-ene
CID 101032788
[(E)-3,3,3-Trifluoro-1-propenyl]cyclohexane
CID 10487552
(E)-1-Cyclohexyl-4,4,4-trifluoro-1-butene
CID 71814106
Bicyclohexyl-3-ene
CID 524573
1-Fluoro-6-hexylcyclohexene
CID 134863298
[(E)-3,3-difluoroprop-1-enyl]cyclohexane
CID 134945748
(E,8S)-8-(trifluoromethyl)tetradec-6-ene
CID 162401663
(3R,6S)-3-(2-fluoropropan-2-yl)-6-methylcyclohexene
CID 162409397
[(E)-4,4-difluoro-3-methylbut-1-enyl]cyclohexane
CID 166438808
[(3E)-octa-3,7-dienyl]cyclohexane
CID 101599822
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane?
The IUPAC name of 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane (CID 18344064) is 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane.
What is the SMILES notation for 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane?
The canonical SMILES for 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane is FCC/C=C/C1CCC(CCF)CC1.
What is the InChIKey of 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane?
The InChIKey is YUQJAGDQOPTBQB-HNQUOIGGSA-N. The full InChI is InChI=1S/C12H20F2/c13-9-2-1-3-11-4-6-12(7-5-11)8-10-14/h1,3,11-12H,2,4-10H2/b3-1+.
What are the key properties of 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane?
1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane has a molecular weight of 202.29 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane is sourced from PubChem (CID 18344064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).