2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol

C14H14ClF3O2 — CID 141098189

IUPAC2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc2c(cc1Cl)C=C[C@H](C(F)(F)F)O2
InChIInChI=1S/C14H14ClF3O2/c1-13(2,7-19)9-6-11-8(5-10(9)15)3-4-12(20-11)14(16,17)18/h3-6,12,19H,7H2,1-2H3/t12-/m1/s1
InChIKeyXKRDHVREOHKPDO-GFCCVEGCSA-N
MW306.71 g/mol
LogP3.95
Rot. Bonds2

About 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol

2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol (PubChem CID 141098189) has the molecular formula C14H14ClF3O2 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
PubChem CID141098189
Molecular FormulaC14H14ClF3O2
Molecular Weight306.71 g/mol
Exact Mass306.06
IUPAC Name2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1cc2c(cc1Cl)C=C[C@H](C(F)(F)F)O2
InChIInChI=1S/C14H14ClF3O2/c1-13(2,7-19)9-6-11-8(5-10(9)15)3-4-12(20-11)14(16,17)18/h3-6,12,19H,7H2,1-2H3/t12-/m1/s1
InChIKeyXKRDHVREOHKPDO-GFCCVEGCSA-N
XLogP3.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol 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 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol?
The IUPAC name of 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol (CID 141098189) is 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol is CC(C)(CO)c1cc2c(cc1Cl)C=C[C@H](C(F)(F)F)O2.
What is the InChIKey of 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol?
The InChIKey is XKRDHVREOHKPDO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14ClF3O2/c1-13(2,7-19)9-6-11-8(5-10(9)15)3-4-12(20-11)14(16,17)18/h3-6,12,19H,7H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol?
2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol has a molecular weight of 306.71 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-6-chloro-2-(trifluoromethyl)-2H-chromen-7-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 141098189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).