9H-fluorene;1,1,2,2-tetrafluoropentane

C18H18F4 — CID 159205240

IUPAC9H-fluorene;1,1,2,2-tetrafluoropentane
SMILESCCCC(F)(F)C(F)F.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C5H8F4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-5(8,9)4(6)7/h1-8H,9H2;4H,2-3H2,1H3
InChIKeyKPUIOJYBAVDWKC-UHFFFAOYSA-N
MW310.33 g/mol
LogP5.94
Rot. Bonds3

About 9H-fluorene;1,1,2,2-tetrafluoropentane

9H-fluorene;1,1,2,2-tetrafluoropentane (PubChem CID 159205240) has the molecular formula C18H18F4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 9H-fluorene;1,1,2,2-tetrafluoropentane.

Molecular Properties

Compound Name9H-fluorene;1,1,2,2-tetrafluoropentane
PubChem CID159205240
Molecular FormulaC18H18F4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name9H-fluorene;1,1,2,2-tetrafluoropentane
SMILESCCCC(F)(F)C(F)F.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C5H8F4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-5(8,9)4(6)7/h1-8H,9H2;4H,2-3H2,1H3
InChIKeyKPUIOJYBAVDWKC-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.33
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9H-fluorene;1,1,1,2-tetrafluoropentane
CID 118455816
bis(9H-fluorene);pentane
CID 159146463
bis(9H-fluorene);methane;pentane
CID 158815702
3-ethylpentane;bis(9H-fluorene)
CID 161034043
9H-fluorene;henicosane
CID 174789372
ethanamine;9H-fluorene
CID 158316259
pentakis(N-ethylethanamine);9H-fluorene
CID 172860190
azane;hexakis(9H-fluorene)
CID 158472914
cadmium;9H-fluorene
CID 175337736
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
9H-fluorene;sulfane;hydrate
CID 159057499

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;1,1,2,2-tetrafluoropentane?
The IUPAC name of 9H-fluorene;1,1,2,2-tetrafluoropentane (CID 159205240) is 9H-fluorene;1,1,2,2-tetrafluoropentane.
What is the SMILES notation for 9H-fluorene;1,1,2,2-tetrafluoropentane?
The canonical SMILES for 9H-fluorene;1,1,2,2-tetrafluoropentane is CCCC(F)(F)C(F)F.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;1,1,2,2-tetrafluoropentane?
The InChIKey is KPUIOJYBAVDWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C5H8F4/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-2-3-5(8,9)4(6)7/h1-8H,9H2;4H,2-3H2,1H3.
What are the key properties of 9H-fluorene;1,1,2,2-tetrafluoropentane?
9H-fluorene;1,1,2,2-tetrafluoropentane has a molecular weight of 310.33 g/mol, XLogP of 5.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;1,1,2,2-tetrafluoropentane is sourced from PubChem (CID 159205240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).