[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane

C19H27F3 — CID 146498942

IUPAC[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
SMILESCC(C)c1ccc(C2CCCCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C19H27F3/c1-14(2)17-12-11-16(13-18(17)19(20,21)22)15-9-7-5-3-4-6-8-10-15/h11-15H,3-10H2,1-2H3
InChIKeyQBIVQQJMJSQPLV-UHFFFAOYSA-N
MW312.42 g/mol
LogP7.05
Rot. Bonds2

About [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane

[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane (PubChem CID 146498942) has the molecular formula C19H27F3 and a molecular weight of 312.42 g/mol. Its IUPAC name is [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane.

Molecular Properties

Compound Name[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
PubChem CID146498942
Molecular FormulaC19H27F3
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane
SMILESCC(C)c1ccc(C2CCCCCCCC2)cc1C(F)(F)F
InChIInChI=1S/C19H27F3/c1-14(2)17-12-11-16(13-18(17)19(20,21)22)15-9-7-5-3-4-6-8-10-15/h11-15H,3-10H2,1-2H3
InChIKeyQBIVQQJMJSQPLV-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane?
The IUPAC name of [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane (CID 146498942) is [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane.
What is the SMILES notation for [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane?
The canonical SMILES for [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane is CC(C)c1ccc(C2CCCCCCCC2)cc1C(F)(F)F.
What is the InChIKey of [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane?
The InChIKey is QBIVQQJMJSQPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3/c1-14(2)17-12-11-16(13-18(17)19(20,21)22)15-9-7-5-3-4-6-8-10-15/h11-15H,3-10H2,1-2H3.
What are the key properties of [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane?
[4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane has a molecular weight of 312.42 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-3-(trifluoromethyl)phenyl]cyclononane is sourced from PubChem (CID 146498942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).