(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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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).