(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol

C14H14F9NO — CID 98082111

IUPAC(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
SMILESO[C@@H](CNCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F9NO/c15-11(16,12(17,18)13(19,20)14(21,22)23)6-10(25)8-24-7-9-4-2-1-3-5-9/h1-5,10,24-25H,6-8H2/t10-/m1/s1
InChIKeyLTRNBXMYHOAEBK-SNVBAGLBSA-N
MW383.25 g/mol
LogP4.00
Rot. Bonds8

About (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol

(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol (PubChem CID 98082111) has the molecular formula C14H14F9NO and a molecular weight of 383.25 g/mol. Its IUPAC name is (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol.

Molecular Properties

Compound Name(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
PubChem CID98082111
Molecular FormulaC14H14F9NO
Molecular Weight383.25 g/mol
Exact Mass383.09
IUPAC Name(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol
SMILESO[C@@H](CNCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H14F9NO/c15-11(16,12(17,18)13(19,20)14(21,22)23)6-10(25)8-24-7-9-4-2-1-3-5-9/h1-5,10,24-25H,6-8H2/t10-/m1/s1
InChIKeyLTRNBXMYHOAEBK-SNVBAGLBSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.25
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(benzylamino)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridecan-2-ol
CID 99649617
6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-1-phenyldodecan-4-ol
CID 162347931
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
(2S)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5,6,6,7-undecafluoroheptoxy)propan-2-ol
CID 98082100
(2R)-1-(benzylamino)-3-(2,2,3,3,4,4,5,5-octafluoropentoxy)propan-2-ol
CID 98082099
benzyl-bis(2-hydroxyethyl)-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-pentacosafluoro-2-hydroxypentadecyl)azanium
CID 101142280
4-amino-1-(benzylamino)butan-2-ol
CID 112511959
(2S)-3-(benzylamino)-1,1,1-trichloropropan-2-ol
CID 131850472
(2S)-1-(benzylamino)propan-2-ol
CID 964914
(2S)-1-(benzylamino)-3-phenylmethoxypropan-2-ol
CID 10707267
(1R)-2-(benzylamino)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 94190174
3-(benzylamino)-2-[(benzylamino)methyl]-1,1,1-trifluoropropan-2-ol
CID 24809784

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
The IUPAC name of (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol (CID 98082111) is (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol.
What is the SMILES notation for (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
The canonical SMILES for (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol is O[C@@H](CNCc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
The InChIKey is LTRNBXMYHOAEBK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F9NO/c15-11(16,12(17,18)13(19,20)14(21,22)23)6-10(25)8-24-7-9-4-2-1-3-5-9/h1-5,10,24-25H,6-8H2/t10-/m1/s1.
What are the key properties of (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol?
(2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol has a molecular weight of 383.25 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(benzylamino)-4,4,5,5,6,6,7,7,7-nonafluoroheptan-2-ol is sourced from PubChem (CID 98082111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).