7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol

C18H19FS — CID 178015976

IUPAC7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol
SMILESCC(C)(F)c1ccc2c(c1)C(C)(C)c1cc(S)ccc1-2
InChIInChI=1S/C18H19FS/c1-17(2)15-9-11(18(3,4)19)5-7-13(15)14-8-6-12(20)10-16(14)17/h5-10,20H,1-4H3
InChIKeyWAOGEDULOBOCOY-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.49
Rot. Bonds1

About 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol

7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol (PubChem CID 178015976) has the molecular formula C18H19FS and a molecular weight of 286.42 g/mol. Its IUPAC name is 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol.

Molecular Properties

Compound Name7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol
PubChem CID178015976
Molecular FormulaC18H19FS
Molecular Weight286.42 g/mol
Exact Mass286.12
IUPAC Name7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol
SMILESCC(C)(F)c1ccc2c(c1)C(C)(C)c1cc(S)ccc1-2
InChIInChI=1S/C18H19FS/c1-17(2)15-9-11(18(3,4)19)5-7-13(15)14-8-6-12(20)10-16(14)17/h5-10,20H,1-4H3
InChIKeyWAOGEDULOBOCOY-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

9,9-dimethyl-2,7-bis(2-methylbutan-2-yl)fluorene
CID 143017257
8,8-dimethyl-5-(trifluoromethyl)hexacyclo[10.9.2.02,7.09,22.013,18.019,23]tricosa-1(22),2(7),3,5,9,11,13,15,17,19(23),20-undecaene
CID 59002165
5,5,8,8,12,12,16,16,19,19-decamethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),10,13,15(20)-hexaene;2,7-ditert-butyl-9,9-dimethylfluorene
CID 159255668
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
2,7-ditert-butyl-4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluorene
CID 58986909
bis(4-tert-butylphenyl)-bis(7,9,9-trimethylfluoren-2-yl)silane
CID 58738500
2,7-ditert-butyl-4-[4-[4-[4-(2,7-ditert-butyl-9,9-dimethylfluoren-4-yl)phenyl]phenyl]phenyl]-9,9-dimethylfluorene
CID 58986985
2,7,9,9-tetramethylfluorene
CID 22951928
(2,7-ditert-butyl-9-methylfluoren-9-yl)-trimethylsilane
CID 67896056
2-(1-bromoethyl)-9,9-dimethyl-7-(2-methylbutan-2-yl)fluorene
CID 90463480
2-tert-butyl-7-[9,9-dimethyl-7-(2-methylpropyl)fluoren-2-yl]-9,9-dimethylfluorene
CID 123621511
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol?
The IUPAC name of 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol (CID 178015976) is 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol.
What is the SMILES notation for 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol?
The canonical SMILES for 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol is CC(C)(F)c1ccc2c(c1)C(C)(C)c1cc(S)ccc1-2.
What is the InChIKey of 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol?
The InChIKey is WAOGEDULOBOCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FS/c1-17(2)15-9-11(18(3,4)19)5-7-13(15)14-8-6-12(20)10-16(14)17/h5-10,20H,1-4H3.
What are the key properties of 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol?
7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol has a molecular weight of 286.42 g/mol, XLogP of 5.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoropropan-2-yl)-9,9-dimethylfluorene-2-thiol is sourced from PubChem (CID 178015976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).