CID 59940150

C20H27F — CID 59940150

IUPAC—
SMILESC[C]1CCC([C]2CCC(c3ccc(C)c(F)c3)CC2)CC1
InChIInChI=1S/C20H27F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h5,8,13,16,18H,3-4,6-7,9-12H2,1-2H3
InChIKeyYWFQSAZVVUBMPU-UHFFFAOYSA-N
MW286.43 g/mol
LogP6.15
Rot. Bonds2

About CID 59940150

CID 59940150 (PubChem CID 59940150) has the molecular formula C20H27F and a molecular weight of 286.43 g/mol.

Molecular Properties

Compound NameCID 59940150
PubChem CID59940150
Molecular FormulaC20H27F
Molecular Weight286.43 g/mol
Exact Mass286.21
IUPAC Name—
SMILESC[C]1CCC([C]2CCC(c3ccc(C)c(F)c3)CC2)CC1
InChIInChI=1S/C20H27F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h5,8,13,16,18H,3-4,6-7,9-12H2,1-2H3
InChIKeyYWFQSAZVVUBMPU-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59940150?
The IUPAC name of CID 59940150 (CID 59940150) is not available.
What is the SMILES notation for CID 59940150?
The canonical SMILES for CID 59940150 is C[C]1CCC([C]2CCC(c3ccc(C)c(F)c3)CC2)CC1.
What is the InChIKey of CID 59940150?
The InChIKey is YWFQSAZVVUBMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F/c1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19/h5,8,13,16,18H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of CID 59940150?
CID 59940150 has a molecular weight of 286.43 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59940150 is sourced from PubChem (CID 59940150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).