N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine

C14H17ClF2N2O — CID 170236571

IUPACN-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine
SMILESC=c1c(N2CCOCC2)cc(Cl)c/c1=C/N(C)C(F)F
InChIInChI=1S/C14H17ClF2N2O/c1-10-11(9-18(2)14(16)17)7-12(15)8-13(10)19-3-5-20-6-4-19/h7-9,14H,1,3-6H2,2H3/b11-9-
InChIKeyKFHMNFXPJQGNLN-LUAWRHEFSA-N
MW302.75 g/mol
LogP1.48
Rot. Bonds3

About N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine

N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine (PubChem CID 170236571) has the molecular formula C14H17ClF2N2O and a molecular weight of 302.75 g/mol. Its IUPAC name is N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine.

Molecular Properties

Compound NameN-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine
PubChem CID170236571
Molecular FormulaC14H17ClF2N2O
Molecular Weight302.75 g/mol
Exact Mass302.10
IUPAC NameN-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine
SMILESC=c1c(N2CCOCC2)cc(Cl)c/c1=C/N(C)C(F)F
InChIInChI=1S/C14H17ClF2N2O/c1-10-11(9-18(2)14(16)17)7-12(15)8-13(10)19-3-5-20-6-4-19/h7-9,14H,1,3-6H2,2H3/b11-9-
InChIKeyKFHMNFXPJQGNLN-LUAWRHEFSA-N
XLogP1.48
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.75
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine?
The IUPAC name of N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine (CID 170236571) is N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine.
What is the SMILES notation for N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine?
The canonical SMILES for N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine is C=c1c(N2CCOCC2)cc(Cl)c/c1=C/N(C)C(F)F.
What is the InChIKey of N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine?
The InChIKey is KFHMNFXPJQGNLN-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H17ClF2N2O/c1-10-11(9-18(2)14(16)17)7-12(15)8-13(10)19-3-5-20-6-4-19/h7-9,14H,1,3-6H2,2H3/b11-9-.
What are the key properties of N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine?
N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine has a molecular weight of 302.75 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-chloro-6-methylidene-5-morpholin-4-ylcyclohexa-2,4-dien-1-ylidene)methyl]-1,1-difluoro-N-methylmethanamine is sourced from PubChem (CID 170236571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).