4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide

C11H13F4N3 — CID 55011485

IUPAC4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4N3/c1-2-18(6-11(13,14)15)9-4-3-7(10(16)17)5-8(9)12/h3-5H,2,6H2,1H3,(H3,16,17)
InChIKeyRXYPAGCDJKQURR-UHFFFAOYSA-N
MW263.24 g/mol
LogP2.50
Rot. Bonds4

About 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide

4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide (PubChem CID 55011485) has the molecular formula C11H13F4N3 and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide
PubChem CID55011485
Molecular FormulaC11H13F4N3
Molecular Weight263.24 g/mol
Exact Mass263.10
IUPAC Name4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(CC)CC(F)(F)F)c(F)c1
InChIInChI=1S/C11H13F4N3/c1-2-18(6-11(13,14)15)9-4-3-7(10(16)17)5-8(9)12/h3-5H,2,6H2,1H3,(H3,16,17)
InChIKeyRXYPAGCDJKQURR-UHFFFAOYSA-N
XLogP2.50
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[2-ethoxyethyl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 55227881
4-(dimethylamino)-3-fluorobenzenecarboximidamide
CID 43658256
4-[butan-2-yl(ethyl)amino]-3-fluorobenzenecarboximidamide
CID 43658301
2-[ethyl(2,2,2-trifluoroethyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768980
4-(diethylamino)-3,5-difluorobenzenecarboximidamide
CID 81293229
4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-3-fluorobenzenecarbothioamide
CID 79377057
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 60983822
4-[ethyl(2,2,2-trifluoroethyl)amino]-2,6-dimethylpyridine-3-carboximidamide
CID 81054399
3-bromo-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 82799642
2-[propyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 55010418
4-[(4-ethylcyclohexyl)-methylamino]-3-fluorobenzenecarboximidamide
CID 61448650

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide?
The IUPAC name of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide (CID 55011485) is 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide.
What is the SMILES notation for 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide?
The canonical SMILES for 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide is [H]/N=C(\N)c1ccc(N(CC)CC(F)(F)F)c(F)c1.
What is the InChIKey of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide?
The InChIKey is RXYPAGCDJKQURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N3/c1-2-18(6-11(13,14)15)9-4-3-7(10(16)17)5-8(9)12/h3-5H,2,6H2,1H3,(H3,16,17).
What are the key properties of 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide?
4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide has a molecular weight of 263.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2,2,2-trifluoroethyl)amino]-3-fluorobenzenecarboximidamide is sourced from PubChem (CID 55011485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).