26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane

C30H27F — CID 175621476

IUPAC26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane
SMILESFC1CC2CC3C2C24C1C1C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C(C32)C14C5%15C6%14C7%13C8%12C%109%11
InChIInChI=1S/C30H27F/c31-10-2-5-1-7-11(5)25-12(7)16-20-21-17-13-8-3-6-4-9-14-18-22-23-19(15(10)25)27(16,25)29(20,23)30(21,22)28(17,18)26(13,14)24(6,8)9/h5-23H,1-4H2
InChIKeyAMCNLMYYDZHJDC-UHFFFAOYSA-N
MW406.54 g/mol
LogP4.11
Rot. Bonds

About 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane

26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane (PubChem CID 175621476) has the molecular formula C30H27F and a molecular weight of 406.54 g/mol. Its IUPAC name is 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane.

Molecular Properties

Compound Name26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane
PubChem CID175621476
Molecular FormulaC30H27F
Molecular Weight406.54 g/mol
Exact Mass406.21
IUPAC Name26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane
SMILESFC1CC2CC3C2C24C1C1C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C(C32)C14C5%15C6%14C7%13C8%12C%109%11
InChIInChI=1S/C30H27F/c31-10-2-5-1-7-11(5)25-12(7)16-20-21-17-13-8-3-6-4-9-14-18-22-23-19(15(10)25)27(16,25)29(20,23)30(21,22)28(17,18)26(13,14)24(6,8)9/h5-23H,1-4H2
InChIKeyAMCNLMYYDZHJDC-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.54
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane?
The IUPAC name of 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane (CID 175621476) is 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane.
What is the SMILES notation for 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane?
The canonical SMILES for 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane is FC1CC2CC3C2C24C1C1C5C6C7C8C9CC%10CC%11C%12C%13C%14C%15C(C32)C14C5%15C6%14C7%13C8%12C%109%11.
What is the InChIKey of 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane?
The InChIKey is AMCNLMYYDZHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27F/c31-10-2-5-1-7-11(5)25-12(7)16-20-21-17-13-8-3-6-4-9-14-18-22-23-19(15(10)25)27(16,25)29(20,23)30(21,22)28(17,18)26(13,14)24(6,8)9/h5-23H,1-4H2.
What are the key properties of 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane?
26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane has a molecular weight of 406.54 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 26-fluoroheptadecacyclo[14.14.0.01,14.02,5.02,13.03,30.04,7.05,12.06,9.06,11.015,18.016,29.017,20.017,28.019,22.020,27.021,24]triacontane is sourced from PubChem (CID 175621476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).