1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine

C11H19F6N — CID 103311806

IUPAC1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
SMILESCCCCC(NCCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6N/c1-3-5-6-8(18-7-4-2)9(10(12,13)14)11(15,16)17/h8-9,18H,3-7H2,1-2H3
InChIKeyKIUBUBWVNYFUAA-UHFFFAOYSA-N
MW279.27 g/mol
LogP4.29
Rot. Bonds7

About 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine

1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine (PubChem CID 103311806) has the molecular formula C11H19F6N and a molecular weight of 279.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
PubChem CID103311806
Molecular FormulaC11H19F6N
Molecular Weight279.27 g/mol
Exact Mass279.14
IUPAC Name1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
SMILESCCCCC(NCCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6N/c1-3-5-6-8(18-7-4-2)9(10(12,13)14)11(15,16)17/h8-9,18H,3-7H2,1-2H3
InChIKeyKIUBUBWVNYFUAA-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)octan-3-amine
CID 103311819
4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103312155
N-ethyl-1,1,1-trifluoro-7-methyl-2-(trifluoromethyl)octan-3-amine
CID 103312243
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103312115
1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166
5-ethyl-N-propyltetradecan-6-amine
CID 115835262
4-methyl-N-propyldecan-5-amine
CID 115837654
N,4-dipropyldodecan-5-amine
CID 115832095
3-methyl-N-propylhexadecan-4-amine
CID 63717053
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine (CID 103311806) is 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine is CCCCC(NCCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine?
The InChIKey is KIUBUBWVNYFUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6N/c1-3-5-6-8(18-7-4-2)9(10(12,13)14)11(15,16)17/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine?
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine has a molecular weight of 279.27 g/mol, XLogP of 4.29, 7 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-propyl-2-(trifluoromethyl)heptan-3-amine is sourced from PubChem (CID 103311806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).