(2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol

C12H14F5NO — CID 86732259

IUPAC(2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol
SMILESCc1cccc([C@](N)(CF)C[C@H](O)C(F)(F)F)c1F
InChIInChI=1S/C12H14F5NO/c1-7-3-2-4-8(10(7)14)11(18,6-13)5-9(19)12(15,16)17/h2-4,9,19H,5-6,18H2,1H3/t9-,11+/m0/s1
InChIKeyBVICPCCWSUVOSE-GXSJLCMTSA-N
MW283.24 g/mol
LogP2.57
Rot. Bonds4

About (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol

(2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol (PubChem CID 86732259) has the molecular formula C12H14F5NO and a molecular weight of 283.24 g/mol. Its IUPAC name is (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol.

Molecular Properties

Compound Name(2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol
PubChem CID86732259
Molecular FormulaC12H14F5NO
Molecular Weight283.24 g/mol
Exact Mass283.10
IUPAC Name(2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol
SMILESCc1cccc([C@](N)(CF)C[C@H](O)C(F)(F)F)c1F
InChIInChI=1S/C12H14F5NO/c1-7-3-2-4-8(10(7)14)11(18,6-13)5-9(19)12(15,16)17/h2-4,9,19H,5-6,18H2,1H3/t9-,11+/m0/s1
InChIKeyBVICPCCWSUVOSE-GXSJLCMTSA-N
XLogP2.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.57
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-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol?
The IUPAC name of (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol (CID 86732259) is (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol.
What is the SMILES notation for (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol?
The canonical SMILES for (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol is Cc1cccc([C@](N)(CF)C[C@H](O)C(F)(F)F)c1F.
What is the InChIKey of (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol?
The InChIKey is BVICPCCWSUVOSE-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H14F5NO/c1-7-3-2-4-8(10(7)14)11(18,6-13)5-9(19)12(15,16)17/h2-4,9,19H,5-6,18H2,1H3/t9-,11+/m0/s1.
What are the key properties of (2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol?
(2S,4S)-4-amino-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol has a molecular weight of 283.24 g/mol, XLogP of 2.57, 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-1,1,1,5-tetrafluoro-4-(2-fluoro-3-methylphenyl)pentan-2-ol is sourced from PubChem (CID 86732259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).