(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol

C6H13FN2O2 — CID 142537536

IUPAC(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol
SMILESNC1CC(N)[C@@H](O)C(O)C1F
InChIInChI=1S/C6H13FN2O2/c7-4-2(8)1-3(9)5(10)6(4)11/h2-6,10-11H,1,8-9H2/t2?,3?,4?,5-,6?/m1/s1
InChIKeyULWLXMDKKYHPOR-ZZRYAAOLSA-N
MW164.18 g/mol
LogP-1.90
Rot. Bonds

About (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol

(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol (PubChem CID 142537536) has the molecular formula C6H13FN2O2 and a molecular weight of 164.18 g/mol. Its IUPAC name is (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol.

Molecular Properties

Compound Name(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol
PubChem CID142537536
Molecular FormulaC6H13FN2O2
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol
SMILESNC1CC(N)[C@@H](O)C(O)C1F
InChIInChI=1S/C6H13FN2O2/c7-4-2(8)1-3(9)5(10)6(4)11/h2-6,10-11H,1,8-9H2/t2?,3?,4?,5-,6?/m1/s1
InChIKeyULWLXMDKKYHPOR-ZZRYAAOLSA-N
XLogP-1.90
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,3S,5R)-3,5-diamino-2-fluorocyclopentan-1-ol
CID 102050550
(1R,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 6102588
cis-(4S,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 25245099
(1S,3R,4R,6R)-4,6-diaminocyclohexane-1,2,3-triol
CID 98290063
(1R,2R,3S,5S)-3-amino-2-fluoro-5-(hydroxymethyl)cyclopentan-1-ol
CID 121226647
(1R,2S,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 171920949
(1R,2R,3S,5S)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol
CID 18651921
(1R,2S,3R,4R,6R)-4-amino-6-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 10397334
(1S,2R,3S,4R)-4-aminocyclopentane-1,2,3-triol;hydrochloride
CID 73424715
(1R,2R,3R,4S,5S)-5-aminocyclohexane-1,2,3,4-tetrol
CID 101174651
(5-amino-2,3,4-trihydroxycyclohexyl)azanium
CID 5193005
(5S)-6-(18F)fluorocyclohexane-1,2,3,4,5-pentol
CID 159037991

Frequently Asked Questions

What is the IUPAC name of (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol?
The IUPAC name of (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol (CID 142537536) is (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol.
What is the SMILES notation for (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol?
The canonical SMILES for (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol is NC1CC(N)[C@@H](O)C(O)C1F.
What is the InChIKey of (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol?
The InChIKey is ULWLXMDKKYHPOR-ZZRYAAOLSA-N. The full InChI is InChI=1S/C6H13FN2O2/c7-4-2(8)1-3(9)5(10)6(4)11/h2-6,10-11H,1,8-9H2/t2?,3?,4?,5-,6?/m1/s1.
What are the key properties of (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol?
(1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol has a molecular weight of 164.18 g/mol, XLogP of -1.90, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,6-diamino-3-fluorocyclohexane-1,2-diol is sourced from PubChem (CID 142537536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).