1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine

C11H12F6N2O — CID 170894654

IUPAC1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C11H12F6N2O/c12-9(10(13,14)15)11(16,17)20-7-3-1-6(2-4-7)8(19)5-18/h1-4,8-9H,5,18-19H2
InChIKeyAIMPCCQDUZRAFJ-UHFFFAOYSA-N
MW302.22 g/mol
LogP2.52
Rot. Bonds5

About 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine

1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine (PubChem CID 170894654) has the molecular formula C11H12F6N2O and a molecular weight of 302.22 g/mol. Its IUPAC name is 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
PubChem CID170894654
Molecular FormulaC11H12F6N2O
Molecular Weight302.22 g/mol
Exact Mass302.09
IUPAC Name1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine
SMILESNCC(N)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1
InChIInChI=1S/C11H12F6N2O/c12-9(10(13,14)15)11(16,17)20-7-3-1-6(2-4-7)8(19)5-18/h1-4,8-9H,5,18-19H2
InChIKeyAIMPCCQDUZRAFJ-UHFFFAOYSA-N
XLogP2.52
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-3-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-amine;hydrochloride
CID 171228261
(1R)-2-fluoro-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine;hydrochloride
CID 171228229
1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethane-1,2-diamine
CID 77130956
(2R)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515285
(2S)-2-amino-2-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol
CID 66515284
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butane-1,4-diamine;hydrochloride
CID 171228235
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]butan-1-amine
CID 171228244
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103693878
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(1S)-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]pentan-1-amine
CID 171228248
(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1S)-3-methyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171228277

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine?
The IUPAC name of 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine (CID 170894654) is 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine.
What is the SMILES notation for 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine?
The canonical SMILES for 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine is NCC(N)c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1.
What is the InChIKey of 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine?
The InChIKey is AIMPCCQDUZRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2O/c12-9(10(13,14)15)11(16,17)20-7-3-1-6(2-4-7)8(19)5-18/h1-4,8-9H,5,18-19H2.
What are the key properties of 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine?
1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine has a molecular weight of 302.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]ethane-1,2-diamine is sourced from PubChem (CID 170894654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).