(3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane

C15H29F3 — CID 59378140

IUPAC(3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane
SMILESCC(C)(C)CCCC[C@](C)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H29F3/c1-12(2,3)10-8-9-11-14(7,13(4,5)6)15(16,17)18/h8-11H2,1-7H3/t14-/m1/s1
InChIKeyJHTYUFKVPSBJCT-CQSZACIVSA-N
MW266.39 g/mol
LogP6.21
Rot. Bonds4

About (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane

(3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane (PubChem CID 59378140) has the molecular formula C15H29F3 and a molecular weight of 266.39 g/mol. Its IUPAC name is (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane.

Molecular Properties

Compound Name(3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane
PubChem CID59378140
Molecular FormulaC15H29F3
Molecular Weight266.39 g/mol
Exact Mass266.22
IUPAC Name(3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane
SMILESCC(C)(C)CCCC[C@](C)(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C15H29F3/c1-12(2,3)10-8-9-11-14(7,13(4,5)6)15(16,17)18/h8-11H2,1-7H3/t14-/m1/s1
InChIKeyJHTYUFKVPSBJCT-CQSZACIVSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 56.21
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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Frequently Asked Questions

What is the IUPAC name of (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane?
The IUPAC name of (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane (CID 59378140) is (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane.
What is the SMILES notation for (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane?
The canonical SMILES for (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane is CC(C)(C)CCCC[C@](C)(C(C)(C)C)C(F)(F)F.
What is the InChIKey of (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane?
The InChIKey is JHTYUFKVPSBJCT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H29F3/c1-12(2,3)10-8-9-11-14(7,13(4,5)6)15(16,17)18/h8-11H2,1-7H3/t14-/m1/s1.
What are the key properties of (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane?
(3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane has a molecular weight of 266.39 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2,2,3,8,8-pentamethyl-3-(trifluoromethyl)nonane is sourced from PubChem (CID 59378140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).