3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine

C10H10ClF4NO — CID 116688803

IUPAC3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(Oc1cccc(Cl)c1F)C(F)(F)F
InChIInChI=1S/C10H10ClF4NO/c1-5(16)9(10(13,14)15)17-7-4-2-3-6(11)8(7)12/h2-5,9H,16H2,1H3
InChIKeyZOYYRJOJDYXOHB-UHFFFAOYSA-N
MW271.64 g/mol
LogP3.14
Rot. Bonds3

About 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine

3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine (PubChem CID 116688803) has the molecular formula C10H10ClF4NO and a molecular weight of 271.64 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine
PubChem CID116688803
Molecular FormulaC10H10ClF4NO
Molecular Weight271.64 g/mol
Exact Mass271.04
IUPAC Name3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(Oc1cccc(Cl)c1F)C(F)(F)F
InChIInChI=1S/C10H10ClF4NO/c1-5(16)9(10(13,14)15)17-7-4-2-3-6(11)8(7)12/h2-5,9H,16H2,1H3
InChIKeyZOYYRJOJDYXOHB-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.64
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-(2-fluoro-3-methylphenoxy)butan-2-amine
CID 107656388
(1R)-1-[2-(3-chloro-2-fluorophenoxy)-6-fluorophenyl]ethanamine
CID 104892670
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218
3-(5-bromo-2,3-difluorophenoxy)-4,4,4-trifluorobutan-2-amine
CID 107097736
2-(3-chloro-2-fluorophenoxy)-3-methylbutanoic acid
CID 116688461
4-(3-chloro-2-fluorophenoxy)pentan-2-one
CID 116689446
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
1-chloro-2-fluoro-3-(trichloromethoxy)benzene
CID 71669471

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine (CID 116688803) is 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine is CC(N)C(Oc1cccc(Cl)c1F)C(F)(F)F.
What is the InChIKey of 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine?
The InChIKey is ZOYYRJOJDYXOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4NO/c1-5(16)9(10(13,14)15)17-7-4-2-3-6(11)8(7)12/h2-5,9H,16H2,1H3.
What are the key properties of 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine?
3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine has a molecular weight of 271.64 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenoxy)-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 116688803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).