4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine

C10H10F5N — CID 117046777

IUPAC4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
SMILESNC(CCc1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C10H10F5N/c11-7-3-1-2-6(9(7)12)4-5-8(16)10(13,14)15/h1-3,8H,4-5,16H2
InChIKeyGVUCRAWQWUBKMH-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.79
Rot. Bonds3

About 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine

4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine (PubChem CID 117046777) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
PubChem CID117046777
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
SMILESNC(CCc1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C10H10F5N/c11-7-3-1-2-6(9(7)12)4-5-8(16)10(13,14)15/h1-3,8H,4-5,16H2
InChIKeyGVUCRAWQWUBKMH-UHFFFAOYSA-N
XLogP2.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
1-(2,3-difluorophenyl)-4-methylpentan-3-amine
CID 43659052
1,1,1-trifluoro-4-(2-iodophenyl)butan-2-amine
CID 117046926
4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046746
(2,3-difluorophenyl)methanamine
CID 2736941
4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 117046792
(1R,3R)-3-amino-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237818
1-(2,3-difluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79052980
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
1-(2,3-difluorophenyl)pentan-2-amine
CID 62601447
1-(4-chloropentyl)-2,3-difluorobenzene
CID 64516100
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine (CID 117046777) is 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine is NC(CCc1cccc(F)c1F)C(F)(F)F.
What is the InChIKey of 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
The InChIKey is GVUCRAWQWUBKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c11-7-3-1-2-6(9(7)12)4-5-8(16)10(13,14)15/h1-3,8H,4-5,16H2.
What are the key properties of 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine has a molecular weight of 239.19 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine is sourced from PubChem (CID 117046777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).