1,1,1-trifluorodecan-2-amine

C10H20F3N — CID 12008689

IUPAC1,1,1-trifluorodecan-2-amine
SMILESCCCCCCCCC(N)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyGBZIOTJXCGSULF-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.63
Rot. Bonds7

About 1,1,1-trifluorodecan-2-amine

1,1,1-trifluorodecan-2-amine (PubChem CID 12008689) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,1,1-trifluorodecan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluorodecan-2-amine
PubChem CID12008689
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1,1,1-trifluorodecan-2-amine
SMILESCCCCCCCCC(N)C(F)(F)F
InChIInChI=1S/C10H20F3N/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9H,2-8,14H2,1H3
InChIKeyGBZIOTJXCGSULF-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.63
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

2-Octylamine
CID 12735
2-Undecanamine
CID 114476
2-Aminotridecane
CID 123297
2-Octylamine, (2R)-
CID 2734519
2-Octylamine, (2S)-
CID 6999019
6-Aminoundecane
CID 141845
Tridecan-7-amine
CID 574991
(S)-2-Aminononane
CID 22831497
Nonan-2-amine
CID 12878166
(R)-2-Aminononane
CID 22831496
5,5,6,6,7,7,7-Heptafluoroheptan-3-amine
CID 418966
5,5,6,6,7,7,7-Heptafluoroheptan-3-amine--hydrogen chloride (1/1)
CID 24190436

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorodecan-2-amine?
The IUPAC name of 1,1,1-trifluorodecan-2-amine (CID 12008689) is 1,1,1-trifluorodecan-2-amine.
What is the SMILES notation for 1,1,1-trifluorodecan-2-amine?
The canonical SMILES for 1,1,1-trifluorodecan-2-amine is CCCCCCCCC(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluorodecan-2-amine?
The InChIKey is GBZIOTJXCGSULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-2-3-4-5-6-7-8-9(14)10(11,12)13/h9H,2-8,14H2,1H3.
What are the key properties of 1,1,1-trifluorodecan-2-amine?
1,1,1-trifluorodecan-2-amine has a molecular weight of 211.27 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorodecan-2-amine is sourced from PubChem (CID 12008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).