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

C18H18F4 — CID 118455816

IUPAC9H-fluorene;1,1,1,2-tetrafluoropentane
SMILESCCCC(F)C(F)(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;1-2-3-4(6)5(7,8)9/h1-8H,9H2;4H,2-3H2,1H3
InChIKeyPUEJHSAYMPMVDQ-UHFFFAOYSA-N
MW310.33 g/mol
LogP5.94
Rot. Bonds2

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

9H-fluorene;1,1,1,2-tetrafluoropentane (PubChem CID 118455816) has the molecular formula C18H18F4 and a molecular weight of 310.33 g/mol. Its IUPAC name is 9H-fluorene;1,1,1,2-tetrafluoropentane.

Molecular Properties

Compound Name9H-fluorene;1,1,1,2-tetrafluoropentane
PubChem CID118455816
Molecular FormulaC18H18F4
Molecular Weight310.33 g/mol
Exact Mass310.13
IUPAC Name9H-fluorene;1,1,1,2-tetrafluoropentane
SMILESCCCC(F)C(F)(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;1-2-3-4(6)5(7,8)9/h1-8H,9H2;4H,2-3H2,1H3
InChIKeyPUEJHSAYMPMVDQ-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;1,1,1,2-tetrafluoropentane?
The IUPAC name of 9H-fluorene;1,1,1,2-tetrafluoropentane (CID 118455816) is 9H-fluorene;1,1,1,2-tetrafluoropentane.
What is the SMILES notation for 9H-fluorene;1,1,1,2-tetrafluoropentane?
The canonical SMILES for 9H-fluorene;1,1,1,2-tetrafluoropentane is CCCC(F)C(F)(F)F.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;1,1,1,2-tetrafluoropentane?
The InChIKey is PUEJHSAYMPMVDQ-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;1-2-3-4(6)5(7,8)9/h1-8H,9H2;4H,2-3H2,1H3.
What are the key properties of 9H-fluorene;1,1,1,2-tetrafluoropentane?
9H-fluorene;1,1,1,2-tetrafluoropentane has a molecular weight of 310.33 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;1,1,1,2-tetrafluoropentane is sourced from PubChem (CID 118455816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).