2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine

C9H8ClF4NO — CID 63879499

IUPAC2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H8ClF4NO/c10-6-3-5(1-2-7(6)11)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyTYOWVGFCZVVRTK-UHFFFAOYSA-N
MW257.61 g/mol
LogP2.75
Rot. Bonds3

About 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine

2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine (PubChem CID 63879499) has the molecular formula C9H8ClF4NO and a molecular weight of 257.61 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
PubChem CID63879499
Molecular FormulaC9H8ClF4NO
Molecular Weight257.61 g/mol
Exact Mass257.02
IUPAC Name2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
SMILESNCC(Oc1ccc(F)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C9H8ClF4NO/c10-6-3-5(1-2-7(6)11)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyTYOWVGFCZVVRTK-UHFFFAOYSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.61
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 43753381
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2-chloro-1-fluoro-4-pentan-3-yloxybenzene
CID 166779725
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CID 63879326
3-(3-chloro-4-fluorophenoxy)propan-1-amine
CID 60729809
2-(3-chloro-4-fluorophenoxy)-2-methylpropan-1-amine
CID 63878843
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
4,4,4-trifluoro-3-(4-fluorophenoxy)butan-1-amine
CID 43753286
2-[(3-chloro-4-fluorophenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 82534338
5-(3-chloro-4-fluorophenoxy)pentan-1-amine
CID 63877786
[4-[(3-chloro-4-fluorophenoxy)methyl]phenyl]methanamine
CID 63880371
3,5-dichloro-4-(3-chloro-4-fluorophenoxy)aniline
CID 106891029

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine (CID 63879499) is 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine is NCC(Oc1ccc(F)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine?
The InChIKey is TYOWVGFCZVVRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF4NO/c10-6-3-5(1-2-7(6)11)16-8(4-15)9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine?
2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine has a molecular weight of 257.61 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 63879499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).