(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine

C11H22F3N — CID 155485567

IUPAC(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine
SMILESCCCCC[C@@](C)(N)CC(C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-4-5-6-7-10(3,15)8-9(2)11(12,13)14/h9H,4-8,15H2,1-3H3/t9?,10-/m1/s1
InChIKeyZTBBZMAGENTGFO-QVDQXJPCSA-N
MW225.30 g/mol
LogP3.87
Rot. Bonds6

About (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine

(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine (PubChem CID 155485567) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine.

Molecular Properties

Compound Name(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine
PubChem CID155485567
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine
SMILESCCCCC[C@@](C)(N)CC(C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-4-5-6-7-10(3,15)8-9(2)11(12,13)14/h9H,4-8,15H2,1-3H3/t9?,10-/m1/s1
InChIKeyZTBBZMAGENTGFO-QVDQXJPCSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyloctadecan-3-amine
CID 54058172
3,3-difluoro-2-methylnonane
CID 121443889
2-methyloctane-1,2-diamine
CID 43519506
3,3-difluoro-2-methylheptadecane
CID 22951834
4,4-dimethyldodecan-2-amine
CID 64715723
6-methyl-6-propan-2-ylundecane
CID 87930599
3-methylheptadecane-2,2-diamine
CID 141040528
2-amino-2-methylhexadecan-1-ol
CID 87201246
3-amino-3-methyloctan-1-ol
CID 80558733
11,12-dimethylheptacosan-11-amine
CID 174255229
methane;1,1,1-trifluoro-2-methylhexane
CID 161476124
3-amino-2,3-dimethylhenicosan-1-ol
CID 87131556

Frequently Asked Questions

What is the IUPAC name of (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine?
The IUPAC name of (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine (CID 155485567) is (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine.
What is the SMILES notation for (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine?
The canonical SMILES for (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine is CCCCC[C@@](C)(N)CC(C)C(F)(F)F.
What is the InChIKey of (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine?
The InChIKey is ZTBBZMAGENTGFO-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22F3N/c1-4-5-6-7-10(3,15)8-9(2)11(12,13)14/h9H,4-8,15H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine?
(4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine has a molecular weight of 225.30 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,1,1-trifluoro-2,4-dimethylnonan-4-amine is sourced from PubChem (CID 155485567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).