1-(2,3,4-trifluorophenoxy)propan-2-amine

C9H10F3NO — CID 83396701

IUPAC1-(2,3,4-trifluorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c1-5(13)4-14-7-3-2-6(10)8(11)9(7)12/h2-3,5H,4,13H2,1H3
InChIKeyKTLUUIFCNVIRJQ-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.83
Rot. Bonds3

About 1-(2,3,4-trifluorophenoxy)propan-2-amine

1-(2,3,4-trifluorophenoxy)propan-2-amine (PubChem CID 83396701) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-(2,3,4-trifluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(2,3,4-trifluorophenoxy)propan-2-amine
PubChem CID83396701
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-(2,3,4-trifluorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(F)c(F)c1F
InChIInChI=1S/C9H10F3NO/c1-5(13)4-14-7-3-2-6(10)8(11)9(7)12/h2-3,5H,4,13H2,1H3
InChIKeyKTLUUIFCNVIRJQ-UHFFFAOYSA-N
XLogP1.83
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
1-(4-chloro-2-fluorophenoxy)propan-2-amine
CID 83396709
1-(6-bromo-2,3-difluorophenoxy)propan-2-amine
CID 73407272
5-(2-aminopropoxy)-2-fluorobenzoic acid;hydrochloride
CID 170915770
O-[2-(2,3,4-trifluorophenoxy)ethyl]hydroxylamine
CID 19370611
(2R)-1-(2,3,5,6-tetrafluorophenoxy)propan-2-amine
CID 103289142
1-butoxy-2,3,4-trifluorobenzene
CID 53441447
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
(2S)-1-[4-fluoro-2-[(2R)-1,1,1-trifluoropropan-2-yl]phenoxy]propan-2-amine
CID 129387984
2-(2,3,4-trifluorophenoxy)ethanol
CID 117051245
1-ethoxy-2,4-difluoro-3-propan-2-ylbenzene
CID 58402522
1-(2,3,4-trifluorophenoxy)propan-2-one
CID 83396685

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4-trifluorophenoxy)propan-2-amine?
The IUPAC name of 1-(2,3,4-trifluorophenoxy)propan-2-amine (CID 83396701) is 1-(2,3,4-trifluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(2,3,4-trifluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(2,3,4-trifluorophenoxy)propan-2-amine is CC(N)COc1ccc(F)c(F)c1F.
What is the InChIKey of 1-(2,3,4-trifluorophenoxy)propan-2-amine?
The InChIKey is KTLUUIFCNVIRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5(13)4-14-7-3-2-6(10)8(11)9(7)12/h2-3,5H,4,13H2,1H3.
What are the key properties of 1-(2,3,4-trifluorophenoxy)propan-2-amine?
1-(2,3,4-trifluorophenoxy)propan-2-amine has a molecular weight of 205.18 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4-trifluorophenoxy)propan-2-amine is sourced from PubChem (CID 83396701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).