2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine

C10H12F3N — CID 84671377

IUPAC2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine
SMILESCc1cc(CCN)cc(F)c1C(F)F
InChIInChI=1S/C10H12F3N/c1-6-4-7(2-3-14)5-8(11)9(6)10(12)13/h4-5,10H,2-3,14H2,1H3
InChIKeyPQTKKFJWZJIBNA-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.57
Rot. Bonds3

About 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine

2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine (PubChem CID 84671377) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine
PubChem CID84671377
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine
SMILESCc1cc(CCN)cc(F)c1C(F)F
InChIInChI=1S/C10H12F3N/c1-6-4-7(2-3-14)5-8(11)9(6)10(12)13/h4-5,10H,2-3,14H2,1H3
InChIKeyPQTKKFJWZJIBNA-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol
CID 117292370
(2S)-4-(4-chloro-3-fluoro-5-methylphenyl)-2-fluorobutan-1-amine
CID 90212636
2-fluoro-2-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106882935
2-(difluoromethyl)-1,3-difluoro-5-heptylbenzene
CID 20653964
[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclobutyl]methanamine
CID 117359755
2-(3,5-difluoro-4-methylsulfanylphenyl)ethanamine
CID 63818519
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813
1-[1-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]cyclopropyl]ethanamine
CID 117359794
2,2-difluoro-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883395
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626
2-[3,5-difluoro-4-(2-methylpropylsulfanyl)phenyl]ethanamine
CID 63818628
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine?
The IUPAC name of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine (CID 84671377) is 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine.
What is the SMILES notation for 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine?
The canonical SMILES for 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine is Cc1cc(CCN)cc(F)c1C(F)F.
What is the InChIKey of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine?
The InChIKey is PQTKKFJWZJIBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-4-7(2-3-14)5-8(11)9(6)10(12)13/h4-5,10H,2-3,14H2,1H3.
What are the key properties of 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine?
2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanamine is sourced from PubChem (CID 84671377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).