3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine

C10H12F3N — CID 117291420

IUPAC3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
SMILESNCCCc1ccc(C(F)F)c(F)c1
InChIInChI=1S/C10H12F3N/c11-9-6-7(2-1-5-14)3-4-8(9)10(12)13/h3-4,6,10H,1-2,5,14H2
InChIKeyAJKDOQCMZVJQLE-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.65
Rot. Bonds4

About 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine

3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine (PubChem CID 117291420) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
PubChem CID117291420
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine
SMILESNCCCc1ccc(C(F)F)c(F)c1
InChIInChI=1S/C10H12F3N/c11-9-6-7(2-1-5-14)3-4-8(9)10(12)13/h3-4,6,10H,1-2,5,14H2
InChIKeyAJKDOQCMZVJQLE-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(difluoromethyl)-3-fluorophenyl]methanamine
CID 84655122
3-[4-(aminomethyl)-3-fluorophenyl]propan-1-amine;dihydrochloride
CID 22743258
3-(4-fluoro-3-methylsulfanylphenyl)propan-1-amine
CID 117288827
4-[3-(difluoromethyl)-4-methoxyphenyl]butan-1-amine
CID 117330457
3-(4-fluoro-3-iodophenyl)propan-1-amine
CID 170867706
3-[3-bromo-4-(difluoromethyl)phenyl]propan-1-ol
CID 117416464
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257
2-amino-2-(2-fluoro-4-nonylphenyl)ethanol
CID 15007754
4-(3-aminopropyl)-2-(difluoromethyl)-6-methylphenol
CID 117306626
3-(3,5-difluoro-4-methylphenyl)propan-1-amine
CID 117280226
4-(3-aminopropyl)benzene-1,2-diamine
CID 82502911
3-(4-bromo-3,5-difluorophenyl)propan-1-amine
CID 84803840

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine?
The IUPAC name of 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine (CID 117291420) is 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine.
What is the SMILES notation for 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine?
The canonical SMILES for 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine is NCCCc1ccc(C(F)F)c(F)c1.
What is the InChIKey of 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine?
The InChIKey is AJKDOQCMZVJQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-9-6-7(2-1-5-14)3-4-8(9)10(12)13/h3-4,6,10H,1-2,5,14H2.
What are the key properties of 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine?
3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)-3-fluorophenyl]propan-1-amine is sourced from PubChem (CID 117291420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).