1,1,1-trichlorononane

C9H17Cl3 — CID 6420387

IUPAC1,1,1-trichlorononane
SMILESCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C9H17Cl3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8H2,1H3
InChIKeyXYHURGOZJAVDOG-UHFFFAOYSA-N
MW231.59 g/mol
LogP5.11
Rot. Bonds6

About 1,1,1-trichlorononane

1,1,1-trichlorononane (PubChem CID 6420387) has the molecular formula C9H17Cl3 and a molecular weight of 231.59 g/mol. Its IUPAC name is 1,1,1-trichlorononane.

Molecular Properties

Compound Name1,1,1-trichlorononane
PubChem CID6420387
Molecular FormulaC9H17Cl3
Molecular Weight231.59 g/mol
Exact Mass230.04
IUPAC Name1,1,1-trichlorononane
SMILESCCCCCCCCC(Cl)(Cl)Cl
InChIInChI=1S/C9H17Cl3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8H2,1H3
InChIKeyXYHURGOZJAVDOG-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500231.59
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 141000501
tritriacontane-15,15,16,16-tetrol
CID 19863089
11-chloro-11-nonylhenicosane
CID 154304707
azane;12-chloro-12-undecyltetracosane
CID 88840214
2-chloro-2-methylheptadecane
CID 19869804
5,5-dichlorododecane
CID 90767172
1,1-dichlorononadecylsilane
CID 123671605
azane;2-chloro-2-methyltridecane
CID 87093642
azane;9-chloro-9-octyloctadecane;hydron
CID 22328165
decane-2,2,3,3-tetrol
CID 174911337

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trichlorononane?
The IUPAC name of 1,1,1-trichlorononane (CID 6420387) is 1,1,1-trichlorononane.
What is the SMILES notation for 1,1,1-trichlorononane?
The canonical SMILES for 1,1,1-trichlorononane is CCCCCCCCC(Cl)(Cl)Cl.
What is the InChIKey of 1,1,1-trichlorononane?
The InChIKey is XYHURGOZJAVDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17Cl3/c1-2-3-4-5-6-7-8-9(10,11)12/h2-8H2,1H3.
What are the key properties of 1,1,1-trichlorononane?
1,1,1-trichlorononane has a molecular weight of 231.59 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trichlorononane is sourced from PubChem (CID 6420387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).