N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine

C11H14F3N — CID 80604450

IUPACN-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine
SMILESCCNC(C)(c1cccc(F)c1)C(F)F
InChIInChI=1S/C11H14F3N/c1-3-15-11(2,10(13)14)8-5-4-6-9(12)7-8/h4-7,10,15H,3H2,1-2H3
InChIKeyIXVPIDOHLZDDHC-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.92
Rot. Bonds4

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

N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine (PubChem CID 80604450) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine
PubChem CID80604450
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC NameN-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine
SMILESCCNC(C)(c1cccc(F)c1)C(F)F
InChIInChI=1S/C11H14F3N/c1-3-15-11(2,10(13)14)8-5-4-6-9(12)7-8/h4-7,10,15H,3H2,1-2H3
InChIKeyIXVPIDOHLZDDHC-UHFFFAOYSA-N
XLogP2.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1,1-difluoro-2-(3-fluoro-4-methylphenyl)propan-2-amine
CID 80605038
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
1,1-difluoro-2-(3-methoxyphenyl)-N-propylpropan-2-amine
CID 80605062
1-(ethylamino)-2-(3-fluorophenyl)propan-2-ol
CID 62775143
N-[2-(3-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110470332
(2S)-2-(3-fluorophenyl)pentan-2-ol
CID 93299056
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
2-(3-fluorophenyl)-2-methylpropane-1,3-diol
CID 79450508
ethyl 2-fluoro-3-(3-fluorophenyl)-3-hydroxybutanoate
CID 79367020
N-[2-(3-fluorophenyl)propan-2-yl]-2-phenylacetamide
CID 12790289
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
2-(3-fluorophenyl)-1-(propan-2-ylamino)propan-2-ol
CID 62773399

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine (CID 80604450) is N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine is CCNC(C)(c1cccc(F)c1)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine?
The InChIKey is IXVPIDOHLZDDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-3-15-11(2,10(13)14)8-5-4-6-9(12)7-8/h4-7,10,15H,3H2,1-2H3.
What are the key properties of N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine?
N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine has a molecular weight of 217.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-2-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 80604450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).