(2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine

C14H21F2NO — CID 162545242

IUPAC(2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine
SMILESCC1=CC=C(N2C[C@@H](C)O[C@@H](C)C2)CC1C(F)F
InChIInChI=1S/C14H21F2NO/c1-9-4-5-12(6-13(9)14(15)16)17-7-10(2)18-11(3)8-17/h4-5,10-11,13-14H,6-8H2,1-3H3/t10-,11+,13?
InChIKeyCQTDEQIQVUEUKE-QYJAPNMZSA-N
MW257.32 g/mol
LogP3.21
Rot. Bonds2

About (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine

(2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine (PubChem CID 162545242) has the molecular formula C14H21F2NO and a molecular weight of 257.32 g/mol. Its IUPAC name is (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine
PubChem CID162545242
Molecular FormulaC14H21F2NO
Molecular Weight257.32 g/mol
Exact Mass257.16
IUPAC Name(2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine
SMILESCC1=CC=C(N2C[C@@H](C)O[C@@H](C)C2)CC1C(F)F
InChIInChI=1S/C14H21F2NO/c1-9-4-5-12(6-13(9)14(15)16)17-7-10(2)18-11(3)8-17/h4-5,10-11,13-14H,6-8H2,1-3H3/t10-,11+,13?
InChIKeyCQTDEQIQVUEUKE-QYJAPNMZSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine (CID 162545242) is (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine is CC1=CC=C(N2C[C@@H](C)O[C@@H](C)C2)CC1C(F)F.
What is the InChIKey of (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine?
The InChIKey is CQTDEQIQVUEUKE-QYJAPNMZSA-N. The full InChI is InChI=1S/C14H21F2NO/c1-9-4-5-12(6-13(9)14(15)16)17-7-10(2)18-11(3)8-17/h4-5,10-11,13-14H,6-8H2,1-3H3/t10-,11+,13?.
What are the key properties of (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine?
(2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine has a molecular weight of 257.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[5-(difluoromethyl)-4-methylcyclohexa-1,3-dien-1-yl]-2,6-dimethylmorpholine is sourced from PubChem (CID 162545242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).