1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine

C10H12F3N — CID 117291412

IUPAC1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(C(F)F)ccc1F
InChIInChI=1S/C10H12F3N/c1-6(14)4-8-5-7(10(12)13)2-3-9(8)11/h2-3,5-6,10H,4,14H2,1H3
InChIKeyPOZNCJIKYOMICQ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.65
Rot. Bonds3

About 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine

1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine (PubChem CID 117291412) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
PubChem CID117291412
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(C(F)F)ccc1F
InChIInChI=1S/C10H12F3N/c1-6(14)4-8-5-7(10(12)13)2-3-9(8)11/h2-3,5-6,10H,4,14H2,1H3
InChIKeyPOZNCJIKYOMICQ-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-5-propan-2-ylphenyl)propan-2-amine
CID 117285738
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-ol
CID 117292369
1-(3-ethyl-4-fluorophenyl)propan-2-amine
CID 117278913
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
1-(5-chloro-2,4-difluorophenyl)propan-2-amine
CID 117294361
1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 117378215
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
(2S)-1-(2-bromo-3,4-difluorophenyl)propan-2-amine
CID 130658227
(2R)-2-amino-2-[5-(difluoromethyl)-2-fluorophenyl]ethanol
CID 66514200
2-(2-aminopropyl)-5-chlorophenol
CID 83697150
1-(3-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-amine
CID 117296655
4-(2-aminopropyl)-5-fluoro-2-methylphenol
CID 117279524

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine?
The IUPAC name of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine (CID 117291412) is 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine?
The canonical SMILES for 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine is CC(N)Cc1cc(C(F)F)ccc1F.
What is the InChIKey of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine?
The InChIKey is POZNCJIKYOMICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6(14)4-8-5-7(10(12)13)2-3-9(8)11/h2-3,5-6,10H,4,14H2,1H3.
What are the key properties of 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine?
1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-2-fluorophenyl]propan-2-amine is sourced from PubChem (CID 117291412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).