[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide

C10H11F3NO- — CID 162105991

IUPAC[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
SMILESCC[C@@H]([NH-])c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H11F3NO/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9,14H,2H2,1H3/q-1/t9-/m1/s1
InChIKeyZFNBEGPEKZFNOE-SECBINFHSA-N
MW218.20 g/mol
LogP4.09
Rot. Bonds3

About [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide

[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide (PubChem CID 162105991) has the molecular formula C10H11F3NO- and a molecular weight of 218.20 g/mol. Its IUPAC name is [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide.

Molecular Properties

Compound Name[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
PubChem CID162105991
Molecular FormulaC10H11F3NO-
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide
SMILESCC[C@@H]([NH-])c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H11F3NO/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9,14H,2H2,1H3/q-1/t9-/m1/s1
InChIKeyZFNBEGPEKZFNOE-SECBINFHSA-N
XLogP4.09
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-bromopropyl)-4-(trifluoromethoxy)benzene
CID 53466431
(1R)-N-methyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 141191403
N-ethyl-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 114980102
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
1-(1-nitrobutan-2-yl)-4-(trifluoromethoxy)benzene
CID 12064951
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348
1-(2-methylbutylsulfanyl)-4-(trifluoromethoxy)benzene
CID 142421289
2-ethoxy-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 79566446
2-[4-(trifluoromethoxy)phenyl]hexan-3-amine
CID 83048255

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide?
The IUPAC name of [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide (CID 162105991) is [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide.
What is the SMILES notation for [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide?
The canonical SMILES for [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide is CC[C@@H]([NH-])c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide?
The InChIKey is ZFNBEGPEKZFNOE-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3NO/c1-2-9(14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6,9,14H,2H2,1H3/q-1/t9-/m1/s1.
What are the key properties of [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide?
[(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide has a molecular weight of 218.20 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-(trifluoromethoxy)phenyl]propyl]azanide is sourced from PubChem (CID 162105991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).