4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine

C6H11ClF3N — CID 106844209

IUPAC4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESFC(F)(F)CNCCCCCl
InChIInChI=1S/C6H11ClF3N/c7-3-1-2-4-11-5-6(8,9)10/h11H,1-5H2
InChIKeyAXLKHYFHPKMCRU-UHFFFAOYSA-N
MW189.61 g/mol
LogP2.16
Rot. Bonds5

About 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine

4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 106844209) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID106844209
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESFC(F)(F)CNCCCCCl
InChIInChI=1S/C6H11ClF3N/c7-3-1-2-4-11-5-6(8,9)10/h11H,1-5H2
InChIKeyAXLKHYFHPKMCRU-UHFFFAOYSA-N
XLogP2.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221
(Z)-N,N'-bis[3-(2,2,2-trifluoroethylamino)propyl]but-2-ene-1,4-diamine
CID 56839108
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
6-chloro-N-(2-fluoroethyl)hexan-1-amine
CID 107845571
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
N'-(4-chlorobutyl)ethane-1,2-diamine
CID 143067580
N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine
CID 87730183
3,3-dimethyl-N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 65296229
1,1,1-trifluoro-2-(2-sulfosulfanylethylamino)ethane
CID 574459
3-cyclohexyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 60998000
(2S)-2-amino-6-(2,2,2-trifluoroethylamino)hexanoic acid
CID 100914511

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 106844209) is 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine is FC(F)(F)CNCCCCCl.
What is the InChIKey of 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is AXLKHYFHPKMCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClF3N/c7-3-1-2-4-11-5-6(8,9)10/h11H,1-5H2.
What are the key properties of 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine?
4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 189.61 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 106844209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).