(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

C10H9F6NO — CID 103693878

IUPAC(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H9F6NO/c11-9(12,13)5-8(17)6-1-3-7(4-2-6)18-10(14,15)16/h1-4,8H,5,17H2/t8-/m1/s1
InChIKeyLMWNMSCIEFKYEO-MRVPVSSYSA-N
MW273.18 g/mol
LogP3.54
Rot. Bonds3

About (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine

(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (PubChem CID 103693878) has the molecular formula C10H9F6NO and a molecular weight of 273.18 g/mol. Its IUPAC name is (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
PubChem CID103693878
Molecular FormulaC10H9F6NO
Molecular Weight273.18 g/mol
Exact Mass273.06
IUPAC Name(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
SMILESN[C@H](CC(F)(F)F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C10H9F6NO/c11-9(12,13)5-8(17)6-1-3-7(4-2-6)18-10(14,15)16/h1-4,8H,5,17H2/t8-/m1/s1
InChIKeyLMWNMSCIEFKYEO-MRVPVSSYSA-N
XLogP3.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171227274
(1S)-3,3,3-trifluoro-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-1-amine;hydrochloride
CID 171234453
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805
(1R)-4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 171207695
(1S)-3-fluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 171227277
(2S)-2-amino-2-[4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 86712019
1-(4-ethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 43197123
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
(1S)-1-[4-(trifluoromethoxy)phenyl]but-3-en-1-amine;hydrochloride
CID 171227266
(1R)-3,3,3-trifluoro-1-[2-fluoro-5-(trifluoromethoxy)phenyl]propan-1-amine
CID 171216239
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
(1R)-1-[4-(trifluoromethoxy)phenyl]pent-4-en-1-amine;hydrochloride
CID 171207711

Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The IUPAC name of (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine (CID 103693878) is (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The canonical SMILES for (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is N[C@H](CC(F)(F)F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
The InChIKey is LMWNMSCIEFKYEO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H9F6NO/c11-9(12,13)5-8(17)6-1-3-7(4-2-6)18-10(14,15)16/h1-4,8H,5,17H2/t8-/m1/s1.
What are the key properties of (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine?
(1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine has a molecular weight of 273.18 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,3-trifluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine is sourced from PubChem (CID 103693878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).