CID 58699690

C17H24FO2Rf4- — CID 58699690

IUPAC—
SMILESCC(C)(C)OC(=O)C1(F)CC2[CH-]C1C1C3CCC(C3)C21.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C17H24FO2.4Rf/c1-16(2,3)20-15(19)17(18)8-11-7-12(17)14-10-5-4-9(6-10)13(11)14;;;;/h7,9-14H,4-6,8H2,1-3H3;;;;/q-1;;;;
InChIKeyRNVVSNQOTJVCNG-UHFFFAOYSA-N
MW1347.37 g/mol
LogP3.55
Rot. Bonds1

About CID 58699690

CID 58699690 (PubChem CID 58699690) has the molecular formula C17H24FO2Rf4- and a molecular weight of 1347.37 g/mol.

Molecular Properties

Compound NameCID 58699690
PubChem CID58699690
Molecular FormulaC17H24FO2Rf4-
Molecular Weight1347.37 g/mol
Exact Mass1347.66
IUPAC Name—
SMILESCC(C)(C)OC(=O)C1(F)CC2[CH-]C1C1C3CCC(C3)C21.[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/C17H24FO2.4Rf/c1-16(2,3)20-15(19)17(18)8-11-7-12(17)14-10-5-4-9(6-10)13(11)14;;;;/h7,9-14H,4-6,8H2,1-3H3;;;;/q-1;;;;
InChIKeyRNVVSNQOTJVCNG-UHFFFAOYSA-N
XLogP3.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001347.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-fluorobicyclo[2.2.1]heptane-2-carboxylate
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ditert-butyl tricyclo[4.2.1.02,5]nonane-3,4-dicarboxylate
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tert-butyl 2-(3-tricyclo[3.2.1.02,4]octanylamino)propanoate
CID 114095991
tert-butyl tetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylate;methoxy(trimethyl)silane
CID 90822079
tert-butyl (2R,3aS,7aS)-3-oxo-2-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1H-indene-2-carboxylate
CID 166440962
tert-butyl (1R,2R,3S,6R,7S,8R)-8-methyl-11-oxo-12-oxatetracyclo[6.3.1.13,6.02,7]tridecane-1-carboxylate
CID 177465864
tert-butyl (1R,2R,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylate
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trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747
ditert-butyl 3-(bromomethyl)cyclobutane-1,1-dicarboxylate
CID 151367160
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl (Z)-3-methyl-4-[(1R,2S,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]but-3-enoate
CID 25271370
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of CID 58699690?
The IUPAC name of CID 58699690 (CID 58699690) is not available.
What is the SMILES notation for CID 58699690?
The canonical SMILES for CID 58699690 is CC(C)(C)OC(=O)C1(F)CC2[CH-]C1C1C3CCC(C3)C21.[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of CID 58699690?
The InChIKey is RNVVSNQOTJVCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FO2.4Rf/c1-16(2,3)20-15(19)17(18)8-11-7-12(17)14-10-5-4-9(6-10)13(11)14;;;;/h7,9-14H,4-6,8H2,1-3H3;;;;/q-1;;;;.
What are the key properties of CID 58699690?
CID 58699690 has a molecular weight of 1347.37 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58699690 is sourced from PubChem (CID 58699690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).