(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol

C18H20F3NO — CID 10591998

IUPAC(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
SMILESO[C@H]([C@@H](CCc1ccccc1)NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H20F3NO/c19-18(20,21)17(23)16(12-11-14-7-3-1-4-8-14)22-13-15-9-5-2-6-10-15/h1-10,16-17,22-23H,11-13H2/t16-,17-/m1/s1
InChIKeyWPWJCUVBCFRLEL-IAGOWNOFSA-N
MW323.36 g/mol
LogP3.70
Rot. Bonds7

About (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol

(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol (PubChem CID 10591998) has the molecular formula C18H20F3NO and a molecular weight of 323.36 g/mol. Its IUPAC name is (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol.

Molecular Properties

Compound Name(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
PubChem CID10591998
Molecular FormulaC18H20F3NO
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol
SMILESO[C@H]([C@@H](CCc1ccccc1)NCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H20F3NO/c19-18(20,21)17(23)16(12-11-14-7-3-1-4-8-14)22-13-15-9-5-2-6-10-15/h1-10,16-17,22-23H,11-13H2/t16-,17-/m1/s1
InChIKeyWPWJCUVBCFRLEL-IAGOWNOFSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 10685271
(2R,3S)-3-(benzylamino)-1,1,1-trifluoro-3-phenylpropan-2-ol
CID 15364761
1,1,1-trifluoro-5-phenylpentan-3-ol
CID 61392717
N-benzyl-4-chloro-1,1,1-trifluorobutan-2-amine
CID 121221476
2-(benzylamino)-2-hydroxyacetic acid
CID 163519207
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595
N-benzyl-3-bromo-1,1,1-trifluoropropan-2-amine
CID 14965865
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
4-phenyl-2-(2,2,2-trifluoroethylamino)butan-1-ol
CID 62881119
N-benzyl-4-(4-fluorophenyl)butan-2-amine
CID 21331650
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol?
The IUPAC name of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol (CID 10591998) is (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol.
What is the SMILES notation for (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol?
The canonical SMILES for (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol is O[C@H]([C@@H](CCc1ccccc1)NCc1ccccc1)C(F)(F)F.
What is the InChIKey of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol?
The InChIKey is WPWJCUVBCFRLEL-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H20F3NO/c19-18(20,21)17(23)16(12-11-14-7-3-1-4-8-14)22-13-15-9-5-2-6-10-15/h1-10,16-17,22-23H,11-13H2/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol?
(2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol has a molecular weight of 323.36 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(benzylamino)-1,1,1-trifluoro-5-phenylpentan-2-ol is sourced from PubChem (CID 10591998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).