N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine

C7H13F4N — CID 141407063

IUPACN-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
SMILESCCN(CCC(F)(F)F)C(C)F
InChIInChI=1S/C7H13F4N/c1-3-12(6(2)8)5-4-7(9,10)11/h6H,3-5H2,1-2H3
InChIKeyYYPWOSJQXWIJTB-UHFFFAOYSA-N
MW187.18 g/mol
LogP2.58
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine

N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine (PubChem CID 141407063) has the molecular formula C7H13F4N and a molecular weight of 187.18 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
PubChem CID141407063
Molecular FormulaC7H13F4N
Molecular Weight187.18 g/mol
Exact Mass187.10
IUPAC NameN-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine
SMILESCCN(CCC(F)(F)F)C(C)F
InChIInChI=1S/C7H13F4N/c1-3-12(6(2)8)5-4-7(9,10)11/h6H,3-5H2,1-2H3
InChIKeyYYPWOSJQXWIJTB-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromoethyl)-3,3,3-trifluoro-N-propan-2-ylpropan-1-amine
CID 80667760
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151
ethane;N-ethyl-3-fluoro-3-methyl-N-pentan-3-ylbutan-1-amine
CID 176567703
2-[ethyl(3,3,3-trifluoropropyl)amino]ethanol
CID 60685882
N,N-diethyl-1,2,3,3,3-pentafluoropropan-1-amine
CID 5092161
1-N,1-N,1-N',1-N'-tetraethyl-2,2,2-trifluoroethane-1,1-diamine
CID 10561221
N,N-diethyl-2-(6,6,6-trifluorohexan-2-ylamino)propanamide
CID 116534471
4-[butan-2-yl(ethyl)amino]-2,2-dimethylbutanethioamide
CID 65246972
3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
CID 169074008
N-(2-bromoethyl)-4,4,4-trifluoro-N-propan-2-ylbutan-1-amine
CID 115518451
2-N-ethyl-1-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62428588
N'-(2-methylpropyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64566711

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine (CID 141407063) is N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine is CCN(CCC(F)(F)F)C(C)F.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine?
The InChIKey is YYPWOSJQXWIJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F4N/c1-3-12(6(2)8)5-4-7(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine has a molecular weight of 187.18 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-N-(1-fluoroethyl)propan-1-amine is sourced from PubChem (CID 141407063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).