N-ethyl-1,1,1-trifluoroheptan-2-amine

C9H18F3N — CID 66204149

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

About N-ethyl-1,1,1-trifluoroheptan-2-amine

N-ethyl-1,1,1-trifluoroheptan-2-amine (PubChem CID 66204149) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoroheptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoroheptan-2-amine
PubChem CID66204149
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC NameN-ethyl-1,1,1-trifluoroheptan-2-amine
SMILESCCCCCC(NCC)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-3-5-6-7-8(13-4-2)9(10,11)12/h8,13H,3-7H2,1-2H3
InChIKeyYYFSONNPRKYCIV-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

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoro-N-propylheptan-2-amine
CID 66205587
N,3-diethyl-3-methoxytridecan-4-amine
CID 116761089
2-(ethylamino)-3,3,3-trifluoropropan-1-ol
CID 83815516
4-N-ethyl-3-N,3-N,3-trimethyltetradecane-3,4-diamine
CID 79057264
1-N,2-N-diethyl-1-N',1-N',1-N",1-N"-tetra(propan-2-yl)decane-1,1,1,2-tetramine
CID 151565444
N-ethyl-2-methyl-2-piperidin-1-yloctan-3-amine
CID 79045571
1-N,1-N'-diethyldecane-1,1-diamine
CID 141499810
N-ethyltetradecan-7-amine
CID 87847195
1,1,1-trifluoro-2-(trifluoromethyl)octane
CID 87708107
N-ethyldecan-5-amine
CID 79405026
1,1,1-trifluoro-2-(trifluoromethyl)undecane
CID 150236240
(1-chloro-1,1-difluorooctan-2-yl)hydrazine
CID 105265550

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoroheptan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoroheptan-2-amine (CID 66204149) is N-ethyl-1,1,1-trifluoroheptan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoroheptan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoroheptan-2-amine is CCCCCC(NCC)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoroheptan-2-amine?
The InChIKey is YYFSONNPRKYCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-3-5-6-7-8(13-4-2)9(10,11)12/h8,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoroheptan-2-amine?
N-ethyl-1,1,1-trifluoroheptan-2-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-2-amine is sourced from PubChem (CID 66204149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).