4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine

C10H10F5N — CID 117046746

IUPAC4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
SMILESNC(CCc1cc(F)ccc1F)C(F)(F)F
InChIInChI=1S/C10H10F5N/c11-7-2-3-8(12)6(5-7)1-4-9(16)10(13,14)15/h2-3,5,9H,1,4,16H2
InChIKeyOHEODQFCGNOSEB-UHFFFAOYSA-N
MW239.19 g/mol
LogP2.79
Rot. Bonds3

About 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine

4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine (PubChem CID 117046746) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
PubChem CID117046746
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine
SMILESNC(CCc1cc(F)ccc1F)C(F)(F)F
InChIInChI=1S/C10H10F5N/c11-7-2-3-8(12)6(5-7)1-4-9(16)10(13,14)15/h2-3,5,9H,1,4,16H2
InChIKeyOHEODQFCGNOSEB-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

4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 117046792
4-(2,5-difluorophenyl)-1-methoxybutan-2-amine
CID 62319637
4-(2,3-difluorophenyl)-1,1,1-trifluorobutan-2-amine
CID 117046777
2-(2-amino-3,3,3-trifluoropropyl)-4-fluoroaniline;hydrochloride
CID 117047246
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
2-(3-bromo-3-phenylpropyl)-1,4-difluorobenzene
CID 55192833
1,4-difluoro-2-(2-iodoethyl)benzene
CID 147661564
4-(2,5-difluorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64666043
[1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248918
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954433
N'-[2-(2,5-difluorophenyl)ethyl]ethane-1,2-diamine
CID 115195405
1,1,1-trifluoro-4-(2-iodophenyl)butan-2-amine
CID 117046926

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
The IUPAC name of 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine (CID 117046746) is 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
The canonical SMILES for 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine is NC(CCc1cc(F)ccc1F)C(F)(F)F.
What is the InChIKey of 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
The InChIKey is OHEODQFCGNOSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c11-7-2-3-8(12)6(5-7)1-4-9(16)10(13,14)15/h2-3,5,9H,1,4,16H2.
What are the key properties of 4-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine?
4-(2,5-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-(2,5-difluorophenyl)-1,1,1-trifluorobutan-2-amine is sourced from PubChem (CID 117046746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).