(2R,3S,4R)-2,3,4-trifluorononane

C9H17F3 — CID 102212838

IUPAC(2R,3S,4R)-2,3,4-trifluorononane
SMILESCCCCC[C@@H](F)[C@@H](F)[C@@H](C)F
InChIInChI=1S/C9H17F3/c1-3-4-5-6-8(11)9(12)7(2)10/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeyADXHCRXVUABNRZ-HLTSFMKQSA-N
MW182.23 g/mol
LogP3.60
Rot. Bonds6

About (2R,3S,4R)-2,3,4-trifluorononane

(2R,3S,4R)-2,3,4-trifluorononane (PubChem CID 102212838) has the molecular formula C9H17F3 and a molecular weight of 182.23 g/mol. Its IUPAC name is (2R,3S,4R)-2,3,4-trifluorononane.

Molecular Properties

Compound Name(2R,3S,4R)-2,3,4-trifluorononane
PubChem CID102212838
Molecular FormulaC9H17F3
Molecular Weight182.23 g/mol
Exact Mass182.13
IUPAC Name(2R,3S,4R)-2,3,4-trifluorononane
SMILESCCCCC[C@@H](F)[C@@H](F)[C@@H](C)F
InChIInChI=1S/C9H17F3/c1-3-4-5-6-8(11)9(12)7(2)10/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m1/s1
InChIKeyADXHCRXVUABNRZ-HLTSFMKQSA-N
XLogP3.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-difluoro-2-methyloctane
CID 134441598
5-fluoro-6-methyldecane
CID 123598559
2-fluorohenicosane
CID 91354486
3,4,5-trifluorododecanoic acid
CID 174386884
4-fluoro-3-methyloctane
CID 89416555
3-fluoro-2-propan-2-ylundecan-1-amine
CID 107443718
(2R)-heptan-2-ol
CID 6992611
3-fluorodecan-2-yl(trimethoxy)silane
CID 87402948
4-fluorononane
CID 15062450
docosan-2-ol
CID 14151025
(2S)-heptan-2-ol;hydrochloride
CID 141119609
octan-2-ol
CID 20083

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-2,3,4-trifluorononane?
The IUPAC name of (2R,3S,4R)-2,3,4-trifluorononane (CID 102212838) is (2R,3S,4R)-2,3,4-trifluorononane.
What is the SMILES notation for (2R,3S,4R)-2,3,4-trifluorononane?
The canonical SMILES for (2R,3S,4R)-2,3,4-trifluorononane is CCCCC[C@@H](F)[C@@H](F)[C@@H](C)F.
What is the InChIKey of (2R,3S,4R)-2,3,4-trifluorononane?
The InChIKey is ADXHCRXVUABNRZ-HLTSFMKQSA-N. The full InChI is InChI=1S/C9H17F3/c1-3-4-5-6-8(11)9(12)7(2)10/h7-9H,3-6H2,1-2H3/t7-,8-,9+/m1/s1.
What are the key properties of (2R,3S,4R)-2,3,4-trifluorononane?
(2R,3S,4R)-2,3,4-trifluorononane has a molecular weight of 182.23 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-2,3,4-trifluorononane is sourced from PubChem (CID 102212838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).