3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline

C10H8F5N — CID 22735233

IUPAC3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
SMILESFC1(F)CNc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C10H8F5N/c11-9(12)4-6-3-7(10(13,14)15)1-2-8(6)16-5-9/h1-3,16H,4-5H2
InChIKeyDMXQCLCXCCHMBY-UHFFFAOYSA-N
MW237.17 g/mol
LogP3.31
Rot. Bonds

About 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline

3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline (PubChem CID 22735233) has the molecular formula C10H8F5N and a molecular weight of 237.17 g/mol. Its IUPAC name is 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
PubChem CID22735233
Molecular FormulaC10H8F5N
Molecular Weight237.17 g/mol
Exact Mass237.06
IUPAC Name3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline
SMILESFC1(F)CNc2ccc(C(F)(F)F)cc2C1
InChIInChI=1S/C10H8F5N/c11-9(12)4-6-3-7(10(13,14)15)1-2-8(6)16-5-9/h1-3,16H,4-5H2
InChIKeyDMXQCLCXCCHMBY-UHFFFAOYSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.17
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclobutane]
CID 115097511
3-propan-2-yl-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline
CID 63386100
7-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopropane]
CID 115097115
7-(trifluoromethyl)spiro[3,4-dihydro-1λ6,4-benzothiazine-2,1'-cyclohexane] 1,1-dioxide
CID 115098146
7-(trifluoromethyl)spiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 115502365
4-propan-2-yl-6-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
CID 115097551
2-methyl-2-propan-2-yl-6-(trifluoromethyl)-3,4-dihydro-1,4-benzoxazine
CID 114494616
3,3-diethyl-7-(trifluoromethyl)-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502358
3,3-dimethyl-7-(trifluoromethyl)-1,2-dihydroquinolin-4-one
CID 19066385
6-(trifluoromethyl)spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclopentane]
CID 81197670
2,2-dimethyl-7-(trifluoromethyl)-3,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 115502340
N,N-dimethyl-2-[3-methyl-5-(trifluoromethyl)-1,2-dihydroindol-3-yl]ethanamine
CID 166138523

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The IUPAC name of 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline (CID 22735233) is 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The canonical SMILES for 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline is FC1(F)CNc2ccc(C(F)(F)F)cc2C1.
What is the InChIKey of 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
The InChIKey is DMXQCLCXCCHMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N/c11-9(12)4-6-3-7(10(13,14)15)1-2-8(6)16-5-9/h1-3,16H,4-5H2.
What are the key properties of 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline?
3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline has a molecular weight of 237.17 g/mol, XLogP of 3.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-6-(trifluoromethyl)-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 22735233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).