1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine

C10H17F6N — CID 103311819

IUPAC1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
SMILESCCCCCC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6N/c1-3-4-5-6-7(17-2)8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3
InChIKeyURJWPDCTYPEHSP-UHFFFAOYSA-N
MW265.24 g/mol
LogP3.90
Rot. Bonds6

About 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine

1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine (PubChem CID 103311819) has the molecular formula C10H17F6N and a molecular weight of 265.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
PubChem CID103311819
Molecular FormulaC10H17F6N
Molecular Weight265.24 g/mol
Exact Mass265.13
IUPAC Name1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
SMILESCCCCCC(NC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H17F6N/c1-3-4-5-6-7(17-2)8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3
InChIKeyURJWPDCTYPEHSP-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 53.90
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

1,1,1-trifluoro-7-methoxy-N-methyl-2-(trifluoromethyl)heptan-3-amine
CID 112754832
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103311806
3-ethyl-N-methylnonan-4-amine
CID 115837459
3-(methylamino)octan-2-ol
CID 166770320
1,1,1-trifluoro-2-(trifluoromethyl)octan-3-ol
CID 103312468
1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-amine
CID 103311798
N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
CID 103312243
1,1-diethoxy-N-methylundecan-2-amine
CID 79495971
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
4-methoxy-N-methyldecan-5-amine
CID 116718740
(2S,4S)-1,1,1-trifluoro-2-(methylamino)decan-4-ol
CID 14379914

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine (CID 103311819) is 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine is CCCCCC(NC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine?
The InChIKey is URJWPDCTYPEHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F6N/c1-3-4-5-6-7(17-2)8(9(11,12)13)10(14,15)16/h7-8,17H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine?
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine has a molecular weight of 265.24 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine is sourced from PubChem (CID 103311819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).