3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine

C10H10F5NO — CID 43753381

IUPAC3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Oc1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H10F5NO/c11-7-2-1-6(5-8(7)12)17-9(3-4-16)10(13,14)15/h1-2,5,9H,3-4,16H2
InChIKeyLKXGWHVWZXDHMX-UHFFFAOYSA-N
MW255.19 g/mol
LogP2.62
Rot. Bonds4

About 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine

3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 43753381) has the molecular formula C10H10F5NO and a molecular weight of 255.19 g/mol. Its IUPAC name is 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID43753381
Molecular FormulaC10H10F5NO
Molecular Weight255.19 g/mol
Exact Mass255.07
IUPAC Name3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Oc1ccc(F)c(F)c1)C(F)(F)F
InChIInChI=1S/C10H10F5NO/c11-7-2-1-6(5-8(7)12)17-9(3-4-16)10(13,14)15/h1-2,5,9H,3-4,16H2
InChIKeyLKXGWHVWZXDHMX-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
CID 43753286
2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 63879499
3-(4-amino-1,1,1-trifluorobutan-2-yl)oxy-N,N-dimethylaniline
CID 61229278
3-(4-butan-2-ylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 107664050
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
3,3,3-trifluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 61398898
3-(4-tert-butyl-2-methylphenoxy)-4,4,4-trifluorobutan-1-amine
CID 43753347
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
2-(4-amino-1,1,1-trifluorobutan-2-yl)oxybenzamide
CID 43753315
4,4,4-trifluoro-3-(2-methoxy-4-methylphenoxy)butan-1-amine
CID 43753296
3-[(3,4-difluorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534793
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine (CID 43753381) is 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine is NCCC(Oc1ccc(F)c(F)c1)C(F)(F)F.
What is the InChIKey of 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is LKXGWHVWZXDHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO/c11-7-2-1-6(5-8(7)12)17-9(3-4-16)10(13,14)15/h1-2,5,9H,3-4,16H2.
What are the key properties of 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine?
3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 255.19 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 43753381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).