(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol

C10H20F2N2O2 — CID 129016942

IUPAC(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol
SMILESCN(C)C(N)O[C@@H]1CC(O)CC(C(F)F)C1
InChIInChI=1S/C10H20F2N2O2/c1-14(2)10(13)16-8-4-6(9(11)12)3-7(15)5-8/h6-10,15H,3-5,13H2,1-2H3/t6?,7?,8-,10?/m0/s1
InChIKeyWJUMSCZUMLHXON-ZYOAUOPZSA-N
MW238.28 g/mol
LogP0.60
Rot. Bonds4

About (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol

(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol (PubChem CID 129016942) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol
PubChem CID129016942
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol
SMILESCN(C)C(N)O[C@@H]1CC(O)CC(C(F)F)C1
InChIInChI=1S/C10H20F2N2O2/c1-14(2)10(13)16-8-4-6(9(11)12)3-7(15)5-8/h6-10,15H,3-5,13H2,1-2H3/t6?,7?,8-,10?/m0/s1
InChIKeyWJUMSCZUMLHXON-ZYOAUOPZSA-N
XLogP0.60
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclobutan-1-ol
CID 102723532
1-(difluoromethyl)-3-methylcyclobutane;formic acid
CID 174816382
3-(4-methylcyclohexyl)oxycyclobutan-1-ol
CID 66368537
3-(dimethoxymethyl)cyclobutan-1-ol
CID 168903688
3-[1-(dimethylamino)-2-hydroxyethyl]cyclopentan-1-ol
CID 130125292
3-(1-amino-2-hydroxyethyl)cyclobutan-1-ol
CID 139688623
1-methyl-3-propan-2-ylcyclopentane;3-propan-2-ylcyclobutan-1-ol
CID 158535526
trans-(1S,3S)-3-methoxycyclopentan-1-ol
CID 97049174
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
3-aminooxycyclopentan-1-ol
CID 105427097
[3-(dihydroxymethyl)-5-hydroxycyclohexyl]methanediol
CID 5255256
cyclohexane-1,3,5-triol;5-methoxycyclohexane-1,3-diol;bis((5R)-3-methoxy-5-methylcyclohexan-1-ol);trans-(3R,5R)-1-methoxy-3,5-dimethylcyclohexane
CID 158489403

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol?
The IUPAC name of (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol (CID 129016942) is (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol?
The canonical SMILES for (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol is CN(C)C(N)O[C@@H]1CC(O)CC(C(F)F)C1.
What is the InChIKey of (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol?
The InChIKey is WJUMSCZUMLHXON-ZYOAUOPZSA-N. The full InChI is InChI=1S/C10H20F2N2O2/c1-14(2)10(13)16-8-4-6(9(11)12)3-7(15)5-8/h6-10,15H,3-5,13H2,1-2H3/t6?,7?,8-,10?/m0/s1.
What are the key properties of (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol?
(3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol has a molecular weight of 238.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[amino(dimethylamino)methoxy]-5-(difluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 129016942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).