N-ethyl-1,1,1-trifluoroheptan-4-amine

C9H18F3N — CID 64567008

IUPACN-ethyl-1,1,1-trifluoroheptan-4-amine
SMILESCCCC(CCC(F)(F)F)NCC
InChIInChI=1S/C9H18F3N/c1-3-5-8(13-4-2)6-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyYLIPKKLYLLNDQL-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.11
Rot. Bonds6

About N-ethyl-1,1,1-trifluoroheptan-4-amine

N-ethyl-1,1,1-trifluoroheptan-4-amine (PubChem CID 64567008) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoroheptan-4-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoroheptan-4-amine
PubChem CID64567008
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC NameN-ethyl-1,1,1-trifluoroheptan-4-amine
SMILESCCCC(CCC(F)(F)F)NCC
InChIInChI=1S/C9H18F3N/c1-3-5-8(13-4-2)6-7-9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyYLIPKKLYLLNDQL-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1,1,1-trifluorooctan-4-amine
CID 79404596
N-ethyl-1,1,1-trifluoro-7,7-dimethyloctan-4-amine
CID 79954629
N-ethyl-6,6,6-trifluoro-1-phenylhexan-3-amine
CID 64566807
N-ethyl-5,5,5-trifluoro-1-(thian-4-yl)pentan-2-amine
CID 105156512
N-ethyl-1,1,1-trifluoro-8,8-dimethylnon-6-yn-4-amine
CID 114190311
2-N-ethyl-1-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044491
N-ethylhexadecan-4-amine
CID 63413885
1,1,1-trifluoro-N-propyldodecan-4-amine
CID 79964145
N-ethyl-1,1,1-trifluoro-6-methylnonan-5-amine
CID 105024244
N-ethyl-6,6,6-trifluoro-1-thiophen-2-ylhexan-3-amine
CID 79952596
8,8,8-trifluorooctan-4-ylhydrazine
CID 105202106
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoroheptan-4-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoroheptan-4-amine (CID 64567008) is N-ethyl-1,1,1-trifluoroheptan-4-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoroheptan-4-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoroheptan-4-amine is CCCC(CCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-1,1,1-trifluoroheptan-4-amine?
The InChIKey is YLIPKKLYLLNDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-3-5-8(13-4-2)6-7-9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoroheptan-4-amine?
N-ethyl-1,1,1-trifluoroheptan-4-amine has a molecular weight of 197.24 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoroheptan-4-amine is sourced from PubChem (CID 64567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).