(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol

C8H16F2N2O2 — CID 142537567

IUPAC(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol
SMILESCO[C@H]1C(C)C(O)C(N)C(F)(F)C1N
InChIInChI=1S/C8H16F2N2O2/c1-3-4(13)6(11)8(9,10)7(12)5(3)14-2/h3-7,13H,11-12H2,1-2H3/t3?,4?,5-,6?,7?/m0/s1
InChIKeyLEHPYEWPZNSLQV-JAPDVUMRSA-N
MW210.22 g/mol
LogP-0.70
Rot. Bonds1

About (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol

(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol (PubChem CID 142537567) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol.

Molecular Properties

Compound Name(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol
PubChem CID142537567
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol
SMILESCO[C@H]1C(C)C(O)C(N)C(F)(F)C1N
InChIInChI=1S/C8H16F2N2O2/c1-3-4(13)6(11)8(9,10)7(12)5(3)14-2/h3-7,13H,11-12H2,1-2H3/t3?,4?,5-,6?,7?/m0/s1
InChIKeyLEHPYEWPZNSLQV-JAPDVUMRSA-N
XLogP-0.70
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(1S,2R,3R,4R,5S,6S)-4-amino-5-fluoro-2,3-dimethoxy-6-methylcyclohexan-1-ol
CID 167602479
(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
CID 11636858
(1S,2S,4S,5S)-6-methoxycyclohexane-1,2,3,4,5-pentol
CID 7020271
4-methoxy-2,2,3,5,6,6-hexamethylcyclohexan-1-ol
CID 20821698
(1S,3R,4S)-3-methoxy-2,2,4-trimethylcyclobutan-1-amine
CID 97102443
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
(1R,3R,4R,6S)-4,5,6-trimethoxycyclohexane-1,2,3-triol
CID 68728955
(1S,2S,4R,5R,6R)-4-amino-3,3-difluoro-2-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol;(1S,2S,3S,4R,5R,6R)-4-amino-3-fluoro-2-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclohexan-1-ol;(1S,2R,3S,4S,5R,6R)-4-amino-2-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane-1,3-diol;(1S,2R,3R,4S,5R,6R)-4-amino-2-methyl-5,6-bis[(2-methylpropan-2-yl)oxy]cyclohexane-1,3-diol;methane
CID 167568630
(4,5,6-trihydroxy-3-methoxyoxan-2-yl) formate
CID 58513034
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976
(2S,5R)-3,5-dimethoxy-2,6-dimethyloxan-4-ol
CID 129044489
(2R,5S)-4-methoxy-2,6-dimethyloxane-3,5-diol
CID 157162950

Frequently Asked Questions

What is the IUPAC name of (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol?
The IUPAC name of (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol (CID 142537567) is (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol.
What is the SMILES notation for (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol?
The canonical SMILES for (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol is CO[C@H]1C(C)C(O)C(N)C(F)(F)C1N.
What is the InChIKey of (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol?
The InChIKey is LEHPYEWPZNSLQV-JAPDVUMRSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-3-4(13)6(11)8(9,10)7(12)5(3)14-2/h3-7,13H,11-12H2,1-2H3/t3?,4?,5-,6?,7?/m0/s1.
What are the key properties of (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol?
(5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol has a molecular weight of 210.22 g/mol, XLogP of -0.70, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,4-diamino-3,3-difluoro-5-methoxy-6-methylcyclohexan-1-ol is sourced from PubChem (CID 142537567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).