1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine

C12H12ClF6NO — CID 102721671

IUPAC1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine
SMILESCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C12H12ClF6NO/c1-6(20)9(7-4-2-3-5-8(7)13)21-10(11(14,15)16)12(17,18)19/h2-6,9-10H,20H2,1H3
InChIKeyFRBYUMBRCRUPKH-UHFFFAOYSA-N
MW335.68 g/mol
LogP4.24
Rot. Bonds4

About 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine

1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine (PubChem CID 102721671) has the molecular formula C12H12ClF6NO and a molecular weight of 335.68 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine
PubChem CID102721671
Molecular FormulaC12H12ClF6NO
Molecular Weight335.68 g/mol
Exact Mass335.05
IUPAC Name1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine
SMILESCC(N)C(OC(C(F)(F)F)C(F)(F)F)c1ccccc1Cl
InChIInChI=1S/C12H12ClF6NO/c1-6(20)9(7-4-2-3-5-8(7)13)21-10(11(14,15)16)12(17,18)19/h2-6,9-10H,20H2,1H3
InChIKeyFRBYUMBRCRUPKH-UHFFFAOYSA-N
XLogP4.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.68
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenoxy)-1-(2-chlorophenyl)propan-2-amine
CID 55022474
1-[2-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]-2-chlorobenzene
CID 102722925
1-(2-chlorophenyl)-1-(4-fluorophenoxy)propan-2-amine
CID 55022666
2-N-[1-(2-chlorophenyl)ethyl]-1,1,1-trifluoro-2-N-methylbutane-2,3-diamine
CID 62978233
1-(2-chlorophenyl)-1-(3-fluorophenoxy)propan-2-amine
CID 55022859
1-(2-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656218
2-(2-chlorophenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275640
1-(2-chlorophenyl)-1-cyclopentyloxypropan-2-amine
CID 55022905
1-(2-chlorophenyl)-1-(2-methylpentoxy)propan-2-amine
CID 103283025
1-(2-chlorophenyl)-1-(cyclohexylmethoxy)propan-2-amine
CID 55066579
1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 53395655
(1S)-1-(3-chloro-2-fluorophenyl)ethanamine;hydrochloride
CID 71074536

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine?
The IUPAC name of 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine (CID 102721671) is 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine?
The canonical SMILES for 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine is CC(N)C(OC(C(F)(F)F)C(F)(F)F)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine?
The InChIKey is FRBYUMBRCRUPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF6NO/c1-6(20)9(7-4-2-3-5-8(7)13)21-10(11(14,15)16)12(17,18)19/h2-6,9-10H,20H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine?
1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine has a molecular weight of 335.68 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-2-amine is sourced from PubChem (CID 102721671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).