1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane

C16H26F4 — CID 58665420

IUPAC1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
SMILESCCCCCCCC1CCC(C=C(F)C(F)(F)F)CC1
InChIInChI=1S/C16H26F4/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)12-15(17)16(18,19)20/h12-14H,2-11H2,1H3
InChIKeySHWYAAVQUUXBCR-UHFFFAOYSA-N
MW294.38 g/mol
LogP6.57
Rot. Bonds7

About 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane

1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane (PubChem CID 58665420) has the molecular formula C16H26F4 and a molecular weight of 294.38 g/mol. Its IUPAC name is 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane.

Molecular Properties

Compound Name1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
PubChem CID58665420
Molecular FormulaC16H26F4
Molecular Weight294.38 g/mol
Exact Mass294.20
IUPAC Name1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane
SMILESCCCCCCCC1CCC(C=C(F)C(F)(F)F)CC1
InChIInChI=1S/C16H26F4/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)12-15(17)16(18,19)20/h12-14H,2-11H2,1H3
InChIKeySHWYAAVQUUXBCR-UHFFFAOYSA-N
XLogP6.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.38
LogP ≤ 56.57
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

[(E)-1,1,1,2-tetrafluorohept-2-en-3-yl]cyclohexane
CID 11747114
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
1-Cyclohexyl-2,3,3,3-tetrafluoro-1-propene
CID 15497043
1-(2-fluoroethyl)-4-[(E)-pent-3-enyl]cyclohexane
CID 18343978
1-(2-fluoroethyl)-4-[(E)-prop-1-enyl]cyclohexane
CID 18343981
1-[(E)-4-fluorobut-1-enyl]-4-(2-fluoroethyl)cyclohexane
CID 18344064
1-[(E)-but-1-enyl]-4-(2-fluoroethyl)cyclohexane
CID 18344067
1,2,3-Trifluoro-3-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18702610
1,6-Difluoro-6-(4-heptylcyclohexyl)cyclohexa-1,4-diene
CID 18940005
1,6-Difluoro-6-[2-(4-heptylcyclohexyl)ethyl]cyclohexa-1,4-diene
CID 18940109
1,5,6-trifluoro-6-[4-[(E)-4-fluorobut-1-enyl]cyclohexyl]cyclohexa-1,4-diene
CID 19695359
4-(trans-4-Propylcyclohexyl)-1-trifluoromethylcyclohex-1-ene
CID 19763109

Frequently Asked Questions

What is the IUPAC name of 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
The IUPAC name of 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane (CID 58665420) is 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane.
What is the SMILES notation for 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
The canonical SMILES for 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane is CCCCCCCC1CCC(C=C(F)C(F)(F)F)CC1.
What is the InChIKey of 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
The InChIKey is SHWYAAVQUUXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F4/c1-2-3-4-5-6-7-13-8-10-14(11-9-13)12-15(17)16(18,19)20/h12-14H,2-11H2,1H3.
What are the key properties of 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane?
1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane has a molecular weight of 294.38 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexane is sourced from PubChem (CID 58665420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).