1-(4-chloro-2-fluorophenoxy)propan-2-amine

C9H11ClFNO — CID 83396709

IUPAC1-(4-chloro-2-fluorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFNO/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyCSRWLKVKVXFPKE-UHFFFAOYSA-N
MW203.64 g/mol
LogP2.21
Rot. Bonds3

About 1-(4-chloro-2-fluorophenoxy)propan-2-amine

1-(4-chloro-2-fluorophenoxy)propan-2-amine (PubChem CID 83396709) has the molecular formula C9H11ClFNO and a molecular weight of 203.64 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenoxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenoxy)propan-2-amine
PubChem CID83396709
Molecular FormulaC9H11ClFNO
Molecular Weight203.64 g/mol
Exact Mass203.05
IUPAC Name1-(4-chloro-2-fluorophenoxy)propan-2-amine
SMILESCC(N)COc1ccc(Cl)cc1F
InChIInChI=1S/C9H11ClFNO/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6H,5,12H2,1H3
InChIKeyCSRWLKVKVXFPKE-UHFFFAOYSA-N
XLogP2.21
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.64
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3,4-trifluorophenoxy)propan-2-amine
CID 83396701
4-chloro-2-fluoro-1-(fluoromethoxy)benzene
CID 67335232
1-(3-chlorophenoxy)propan-2-amine;hydrochloride
CID 86262438
(2R)-1-(2,3-difluorophenoxy)propan-2-amine
CID 79006344
1-[5-chloro-2-(2-methylbutoxy)phenyl]propan-2-amine
CID 62105520
(2S)-1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-amine
CID 39110054
1-[4-fluoro-2-(trifluoromethyl)phenoxy]propan-2-amine
CID 77492759
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
1-(3-bromo-2-phenylpropoxy)-4-chloro-2-fluorobenzene
CID 114267870
O-(4-chloro-2-fluorophenyl)hydroxylamine
CID 130505440
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
4-chloro-1-(4-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 142784638

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenoxy)propan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenoxy)propan-2-amine (CID 83396709) is 1-(4-chloro-2-fluorophenoxy)propan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenoxy)propan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenoxy)propan-2-amine is CC(N)COc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenoxy)propan-2-amine?
The InChIKey is CSRWLKVKVXFPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4,6H,5,12H2,1H3.
What are the key properties of 1-(4-chloro-2-fluorophenoxy)propan-2-amine?
1-(4-chloro-2-fluorophenoxy)propan-2-amine has a molecular weight of 203.64 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenoxy)propan-2-amine is sourced from PubChem (CID 83396709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).