(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine

C14H17F6N — CID 58952994

IUPAC(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine
SMILESCC[C@@H](N[C@H](C)c1ccccc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H17F6N/c1-3-11(12(13(15,16)17)14(18,19)20)21-9(2)10-7-5-4-6-8-10/h4-9,11-12,21H,3H2,1-2H3/t9-,11-/m1/s1
InChIKeyIUKWUBQUBXVKHD-MWLCHTKSSA-N
MW313.29 g/mol
LogP4.86
Rot. Bonds5

About (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine

(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine (PubChem CID 58952994) has the molecular formula C14H17F6N and a molecular weight of 313.29 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine
PubChem CID58952994
Molecular FormulaC14H17F6N
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC Name(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine
SMILESCC[C@@H](N[C@H](C)c1ccccc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H17F6N/c1-3-11(12(13(15,16)17)14(18,19)20)21-9(2)10-7-5-4-6-8-10/h4-9,11-12,21H,3H2,1-2H3/t9-,11-/m1/s1
InChIKeyIUKWUBQUBXVKHD-MWLCHTKSSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-2-(1-phenylethylamino)-3-(trifluoromethyl)butan-1-ol
CID 23585140
(3R,4S)-4-methyl-N-[(1R)-1-phenylethyl]hex-5-en-3-amine
CID 134858185
1-(4-fluorophenyl)-1-N,2-N-bis(1-phenylethyl)butane-1,2-diamine
CID 78159070
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
N-[(1R)-1-phenylethyl]pentan-3-amine;hydrochloride
CID 22831493
3-ethyl-N-(1-phenylethyl)pentan-2-amine
CID 63843790
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
2,2,2-trifluoro-N-[(1R)-1-(4-methylphenyl)ethyl]-1-phenylethanamine
CID 81348788
1-N,1-N'-bis[(1R)-1-phenylethyl]ethane-1,1-diamine
CID 59070989
1-phenyl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-1-amine
CID 43712916
(2S,3R)-3-(1-phenylethylamino)butane-1,2,4-triol
CID 70991072
(4R,5R)-2,7-dimethyl-4-N,5-N-bis[(1S)-1-phenylethyl]octa-1,7-diene-4,5-diamine
CID 101057436

Frequently Asked Questions

What is the IUPAC name of (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine (CID 58952994) is (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine is CC[C@@H](N[C@H](C)c1ccccc1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is IUKWUBQUBXVKHD-MWLCHTKSSA-N. The full InChI is InChI=1S/C14H17F6N/c1-3-11(12(13(15,16)17)14(18,19)20)21-9(2)10-7-5-4-6-8-10/h4-9,11-12,21H,3H2,1-2H3/t9-,11-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine?
(3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 313.29 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,1,1-trifluoro-N-[(1R)-1-phenylethyl]-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 58952994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).