1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane

C18H21F15 — CID 89407524

IUPAC1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane
SMILESFC1CCC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C1
InChIInChI=1S/C18H21F15/c19-4-1-2-5(20)7(22)9(24)11(26)13(28)15(30)17(32)18(33)16(31)14(29)12(27)10(25)8(23)6(21)3-4/h4-18H,1-3H2
InChIKeyHUZKGYVFQVBPFB-UHFFFAOYSA-N
MW522.34 g/mol
LogP6.24
Rot. Bonds

About 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane

1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane (PubChem CID 89407524) has the molecular formula C18H21F15 and a molecular weight of 522.34 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane
PubChem CID89407524
Molecular FormulaC18H21F15
Molecular Weight522.34 g/mol
Exact Mass522.14
IUPAC Name1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane
SMILESFC1CCC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C1
InChIInChI=1S/C18H21F15/c19-4-1-2-5(20)7(22)9(24)11(26)13(28)15(30)17(32)18(33)16(31)14(29)12(27)10(25)8(23)6(21)3-4/h4-18H,1-3H2
InChIKeyHUZKGYVFQVBPFB-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.34
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2,3-trifluoro-5-(4-fluorocyclohexyl)cyclohexane
CID 89198348
(5R)-1-bromo-2,3,5-trifluorocyclohexane
CID 146282305
(1R)-1-fluoro-3-methylcyclopentane
CID 126671048
methyl 2,3-difluorocyclopentane-1-carboxylate
CID 19077661
1,5-difluoro-2-methylcycloheptane
CID 138653554
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
1,2,3-trifluorocyclopropane
CID 71344846
4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane
CID 175202210
2-fluorocyclopropan-1-amine
CID 10197614
1,2-difluoro-3,5-dimethylcyclohexane
CID 89171069

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane?
The IUPAC name of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane (CID 89407524) is 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane?
The canonical SMILES for 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane is FC1CCC(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C(F)C1.
What is the InChIKey of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane?
The InChIKey is HUZKGYVFQVBPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F15/c19-4-1-2-5(20)7(22)9(24)11(26)13(28)15(30)17(32)18(33)16(31)14(29)12(27)10(25)8(23)6(21)3-4/h4-18H,1-3H2.
What are the key properties of 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane?
1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane has a molecular weight of 522.34 g/mol, XLogP of 6.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9,10,11,12,13,14,16-pentadecafluorocyclooctadecane is sourced from PubChem (CID 89407524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).