cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine

C14H19F2NO2 — CID 69296364

IUPACcis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine
SMILESCOC(F)(F)Oc1cccc([C@H]2CCCC[C@H]2N)c1
InChIInChI=1S/C14H19F2NO2/c1-18-14(15,16)19-11-6-4-5-10(9-11)12-7-2-3-8-13(12)17/h4-6,9,12-13H,2-3,7-8,17H2,1H3/t12-,13-/m1/s1
InChIKeyFVCZKGCMNRRMFA-CHWSQXEVSA-N
MW271.31 g/mol
LogP3.25
Rot. Bonds4

About cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine

cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine (PubChem CID 69296364) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine
PubChem CID69296364
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namecis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine
SMILESCOC(F)(F)Oc1cccc([C@H]2CCCC[C@H]2N)c1
InChIInChI=1S/C14H19F2NO2/c1-18-14(15,16)19-11-6-4-5-10(9-11)12-7-2-3-8-13(12)17/h4-6,9,12-13H,2-3,7-8,17H2,1H3/t12-,13-/m1/s1
InChIKeyFVCZKGCMNRRMFA-CHWSQXEVSA-N
XLogP3.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine (CID 69296364) is cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine is COC(F)(F)Oc1cccc([C@H]2CCCC[C@H]2N)c1.
What is the InChIKey of cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine?
The InChIKey is FVCZKGCMNRRMFA-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-18-14(15,16)19-11-6-4-5-10(9-11)12-7-2-3-8-13(12)17/h4-6,9,12-13H,2-3,7-8,17H2,1H3/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine?
cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine has a molecular weight of 271.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[3-[difluoro(methoxy)methoxy]phenyl]cyclohexan-1-amine is sourced from PubChem (CID 69296364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).