(2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol

C11H11F6NO — CID 86732224

IUPAC(2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol
SMILESN[C@@](CF)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C11H11F6NO/c12-5-10(18,4-8(19)11(15,16)17)6-2-1-3-7(13)9(6)14/h1-3,8,19H,4-5,18H2/t8-,10+/m0/s1
InChIKeyLAGHDKOCTAQGHO-WCBMZHEXSA-N
MW287.20 g/mol
LogP2.40
Rot. Bonds4

About (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol

(2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol (PubChem CID 86732224) has the molecular formula C11H11F6NO and a molecular weight of 287.20 g/mol. Its IUPAC name is (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol
PubChem CID86732224
Molecular FormulaC11H11F6NO
Molecular Weight287.20 g/mol
Exact Mass287.07
IUPAC Name(2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol
SMILESN[C@@](CF)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C11H11F6NO/c12-5-10(18,4-8(19)11(15,16)17)6-2-1-3-7(13)9(6)14/h1-3,8,19H,4-5,18H2/t8-,10+/m0/s1
InChIKeyLAGHDKOCTAQGHO-WCBMZHEXSA-N
XLogP2.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol?
The IUPAC name of (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol (CID 86732224) is (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol.
What is the SMILES notation for (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol?
The canonical SMILES for (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol is N[C@@](CF)(C[C@H](O)C(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol?
The InChIKey is LAGHDKOCTAQGHO-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H11F6NO/c12-5-10(18,4-8(19)11(15,16)17)6-2-1-3-7(13)9(6)14/h1-3,8,19H,4-5,18H2/t8-,10+/m0/s1.
What are the key properties of (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol?
(2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol has a molecular weight of 287.20 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-amino-4-(2,3-difluorophenyl)-1,1,1,5-tetrafluoropentan-2-ol is sourced from PubChem (CID 86732224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).