N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine

C10H12F3N — CID 80605462

IUPACN-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
SMILESCCNC(c1cccc(F)c1)C(F)F
InChIInChI=1S/C10H12F3N/c1-2-14-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9-10,14H,2H2,1H3
InChIKeyZOCGRPNDLUGLCN-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.74
Rot. Bonds4

About N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine

N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine (PubChem CID 80605462) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
PubChem CID80605462
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC NameN-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine
SMILESCCNC(c1cccc(F)c1)C(F)F
InChIInChI=1S/C10H12F3N/c1-2-14-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9-10,14H,2H2,1H3
InChIKeyZOCGRPNDLUGLCN-UHFFFAOYSA-N
XLogP2.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 20642773
N-ethyl-2-(3-fluorophenyl)pentan-3-amine
CID 79308586
N-ethyl-1-(3-fluorophenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093897
N-[1-[3-(difluoromethyl)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 113329159
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690
2-(ethylamino)-2-(3-fluorophenyl)acetamide
CID 60786563
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-bromo-5-fluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 66423459
N-[(2-chlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 61030250

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine?
The IUPAC name of N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine (CID 80605462) is N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine is CCNC(c1cccc(F)c1)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine?
The InChIKey is ZOCGRPNDLUGLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-2-14-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9-10,14H,2H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine?
N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 80605462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).