1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

C12H14F5N — CID 43484643

IUPAC1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H14F5N/c1-3-8-4-6-9(7-5-8)10(18-2)11(13,14)12(15,16)17/h4-7,10,18H,3H2,1-2H3
InChIKeyRGEMIIXKQCYOPR-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.71
Rot. Bonds4

About 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine

1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (PubChem CID 43484643) has the molecular formula C12H14F5N and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
PubChem CID43484643
Molecular FormulaC12H14F5N
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC Name1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
SMILESCCc1ccc(C(NC)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H14F5N/c1-3-8-4-6-9(7-5-8)10(18-2)11(13,14)12(15,16)17/h4-7,10,18H,3H2,1-2H3
InChIKeyRGEMIIXKQCYOPR-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-1-[4-(2-methoxyethyl)phenyl]-N-methylpropan-1-amine
CID 43482337
2,2,3,3,3-pentafluoro-N-methyl-1-phenylpropan-1-amine
CID 43481495
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
1-(4-ethylphenyl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103309571
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
CID 116758813
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
3-(4-ethylphenyl)-1-fluoro-N-methylbutan-2-amine
CID 134316625
1-(4-ethylphenyl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-amine
CID 66275433
2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
CID 107140096
2-chloro-1-(4-ethylphenyl)-N-methylethanamine
CID 116952559
1-[bis(4-ethylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 142535811
N-[1-(4-ethylphenyl)-2,2,2-trifluoroethyl]piperidin-4-amine
CID 70653800

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine (CID 43484643) is 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is CCc1ccc(C(NC)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
The InChIKey is RGEMIIXKQCYOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N/c1-3-8-4-6-9(7-5-8)10(18-2)11(13,14)12(15,16)17/h4-7,10,18H,3H2,1-2H3.
What are the key properties of 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine?
1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine has a molecular weight of 267.24 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 43484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).