5-(trifluoromethyl)nonane

C10H19F3 — CID 12519455

IUPAC5-(trifluoromethyl)nonane
SMILESCCCCC(CCCC)C(F)(F)F
InChIInChI=1S/C10H19F3/c1-3-5-7-9(8-6-4-2)10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyGTGLVVVYJWULSV-UHFFFAOYSA-N
MW196.26 g/mol
LogP4.55
Rot. Bonds6

About 5-(trifluoromethyl)nonane

5-(trifluoromethyl)nonane (PubChem CID 12519455) has the molecular formula C10H19F3 and a molecular weight of 196.26 g/mol. Its IUPAC name is 5-(trifluoromethyl)nonane.

Molecular Properties

Compound Name5-(trifluoromethyl)nonane
PubChem CID12519455
Molecular FormulaC10H19F3
Molecular Weight196.26 g/mol
Exact Mass196.14
IUPAC Name5-(trifluoromethyl)nonane
SMILESCCCCC(CCCC)C(F)(F)F
InChIInChI=1S/C10H19F3/c1-3-5-7-9(8-6-4-2)10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyGTGLVVVYJWULSV-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)nonane?
The IUPAC name of 5-(trifluoromethyl)nonane (CID 12519455) is 5-(trifluoromethyl)nonane.
What is the SMILES notation for 5-(trifluoromethyl)nonane?
The canonical SMILES for 5-(trifluoromethyl)nonane is CCCCC(CCCC)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)nonane?
The InChIKey is GTGLVVVYJWULSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3/c1-3-5-7-9(8-6-4-2)10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 5-(trifluoromethyl)nonane?
5-(trifluoromethyl)nonane has a molecular weight of 196.26 g/mol, XLogP of 4.55, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)nonane is sourced from PubChem (CID 12519455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).