(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid

C8H10F7NO3 — CID 44512711

IUPAC(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid
SMILESN[C@H](CC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H10F7NO3/c9-6(10,7(11,12)8(13,14)15)4(17)2-1-3(16)5(18)19/h3-4,17H,1-2,16H2,(H,18,19)/t3-,4-/m1/s1
InChIKeyOHPMQCHNAWSGGJ-QWWZWVQMSA-N
MW301.16 g/mol
LogP1.37
Rot. Bonds6

About (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid

(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid (PubChem CID 44512711) has the molecular formula C8H10F7NO3 and a molecular weight of 301.16 g/mol. Its IUPAC name is (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid.

Molecular Properties

Compound Name(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid
PubChem CID44512711
Molecular FormulaC8H10F7NO3
Molecular Weight301.16 g/mol
Exact Mass301.05
IUPAC Name(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid
SMILESN[C@H](CC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O
InChIInChI=1S/C8H10F7NO3/c9-6(10,7(11,12)8(13,14)15)4(17)2-1-3(16)5(18)19/h3-4,17H,1-2,16H2,(H,18,19)/t3-,4-/m1/s1
InChIKeyOHPMQCHNAWSGGJ-QWWZWVQMSA-N
XLogP1.37
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S,5R)-2,5-diamino-6,6,6-trifluorohexanoic acid
CID 39869181
(5S)-2,6-diamino-5-hydroxyhexanoic acid
CID 123323181
2,6-diamino-5-hydroxyhexanoic acid;hydrochloride
CID 2724399
(2S)-2-amino-5-(18F)fluoro-6,6-dihydroxyhexanoic acid
CID 52938621
(2S,5R)-2,5-diamino-6-fluorohexanoic acid
CID 89056683
(2S)-2-amino-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 129061051
2-amino-6-[(5-amino-5-carboxy-2-hydroxypentyl)amino]-5-hydroxyhexanoic acid
CID 73069397
(2S)-2-amino-5-(diaminomethylideneamino)-5-hydroxypentanoic acid
CID 71448989
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R)-2-amino-5-methylhexanoic acid
CID 40537121

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid?
The IUPAC name of (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid (CID 44512711) is (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid.
What is the SMILES notation for (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid?
The canonical SMILES for (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid is N[C@H](CC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O.
What is the InChIKey of (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid?
The InChIKey is OHPMQCHNAWSGGJ-QWWZWVQMSA-N. The full InChI is InChI=1S/C8H10F7NO3/c9-6(10,7(11,12)8(13,14)15)4(17)2-1-3(16)5(18)19/h3-4,17H,1-2,16H2,(H,18,19)/t3-,4-/m1/s1.
What are the key properties of (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid?
(2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid has a molecular weight of 301.16 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-amino-6,6,7,7,8,8,8-heptafluoro-5-hydroxyoctanoic acid is sourced from PubChem (CID 44512711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).