1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine

C12H14F3N — CID 117330234

IUPAC1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(F)c2C(F)F)CC1
InChIInChI=1S/C12H14F3N/c1-7(16)12(5-6-12)8-3-2-4-9(13)10(8)11(14)15/h2-4,7,11H,5-6,16H2,1H3
InChIKeyQZQALDPPNDROIT-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.14
Rot. Bonds3

About 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine

1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine (PubChem CID 117330234) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine.

Molecular Properties

Compound Name1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
PubChem CID117330234
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine
SMILESCC(N)C1(c2cccc(F)c2C(F)F)CC1
InChIInChI=1S/C12H14F3N/c1-7(16)12(5-6-12)8-3-2-4-9(13)10(8)11(14)15/h2-4,7,11H,5-6,16H2,1H3
InChIKeyQZQALDPPNDROIT-UHFFFAOYSA-N
XLogP3.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(2-bromo-3-fluorophenyl)cyclopropyl]ethanamine
CID 117398469
2-[1-(1-aminoethyl)cyclopropyl]-6-fluoro-N,N-dimethylaniline
CID 117118396
1-[1-[2-(1-fluoroethyl)-3-methoxyphenyl]cyclopropyl]ethanamine
CID 117347308
1-[1-[2-(difluoromethylsulfanyl)phenyl]cyclopropyl]ethanamine
CID 117360639
1-[1-[2-(difluoromethoxy)phenyl]cyclopropyl]ethanamine
CID 117326824
1-[1-[2-(2-fluoropropyl)phenyl]cyclopropyl]ethanamine
CID 117316840
1-[1-(3-bromo-2-methylphenyl)cyclopropyl]ethanamine
CID 117388142
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
1-[1-(2,4-difluoro-3-methylphenyl)cyclopropyl]ethanamine
CID 117301571
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
1-[2-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361937
1-[1-[3-chloro-2-(fluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117327900

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine?
The IUPAC name of 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine (CID 117330234) is 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine.
What is the SMILES notation for 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine?
The canonical SMILES for 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine is CC(N)C1(c2cccc(F)c2C(F)F)CC1.
What is the InChIKey of 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine?
The InChIKey is QZQALDPPNDROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-7(16)12(5-6-12)8-3-2-4-9(13)10(8)11(14)15/h2-4,7,11H,5-6,16H2,1H3.
What are the key properties of 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine?
1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine has a molecular weight of 229.25 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(difluoromethyl)-3-fluorophenyl]cyclopropyl]ethanamine is sourced from PubChem (CID 117330234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).