ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline

C16H27F2N — CID 176702040

IUPACethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
SMILESCC.CC.CCc1ccc2c(c1)CN(C)CC2(F)F
InChIInChI=1S/C12H15F2N.2C2H6/c1-3-9-4-5-11-10(6-9)7-15(2)8-12(11,13)14;2*1-2/h4-6H,3,7-8H2,1-2H3;2*1-2H3
InChIKeyUDVFHPAXUUGHMY-UHFFFAOYSA-N
MW271.39 g/mol
LogP4.84
Rot. Bonds1

About ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline

ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline (PubChem CID 176702040) has the molecular formula C16H27F2N and a molecular weight of 271.39 g/mol. Its IUPAC name is ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline.

Molecular Properties

Compound Nameethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
PubChem CID176702040
Molecular FormulaC16H27F2N
Molecular Weight271.39 g/mol
Exact Mass271.21
IUPAC Nameethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
SMILESCC.CC.CCc1ccc2c(c1)CN(C)CC2(F)F
InChIInChI=1S/C12H15F2N.2C2H6/c1-3-9-4-5-11-10(6-9)7-15(2)8-12(11,13)14;2*1-2/h4-6H,3,7-8H2,1-2H3;2*1-2H3
InChIKeyUDVFHPAXUUGHMY-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-ethylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)ethanol
CID 171522905
6-tert-butyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline
CID 130466932
6-ethyl-3-methyl-2,4-dihydro-1,3-benzothiazine
CID 140990864
ethane;7-ethyl-2-(3-fluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 171523747
2-methyl-6-propylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]
CID 170254660
7,21,29,43-tetraethyl-3,25-dimethyl-11,14,17,33,36,39-hexaoxa-3,25-diazapentacyclo[38.4.0.05,10.018,23.027,32]tetratetraconta-1(40),5(10),6,8,18(23),19,21,27(32),28,30,41,43-dodecaene
CID 101240085
3-(difluoromethyl)-7-ethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 176703012
(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
CID 144701726
(2-methyl-1,3-dihydroisoindol-5-yl)methanamine
CID 82502825
ethane;(7Z)-3-ethyl-5,6,9,10-tetrahydrobenzo[8]annulene
CID 169195757
1-(3-ethylphenyl)-3,3-difluoroazetidine
CID 148676265
5-ethyl-1,3-dihydroisoindole-2-carboxylic acid
CID 143402726

Frequently Asked Questions

What is the IUPAC name of ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
The IUPAC name of ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline (CID 176702040) is ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline.
What is the SMILES notation for ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
The canonical SMILES for ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline is CC.CC.CCc1ccc2c(c1)CN(C)CC2(F)F.
What is the InChIKey of ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
The InChIKey is UDVFHPAXUUGHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N.2C2H6/c1-3-9-4-5-11-10(6-9)7-15(2)8-12(11,13)14;2*1-2/h4-6H,3,7-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline?
ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline has a molecular weight of 271.39 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-ethyl-4,4-difluoro-2-methyl-1,3-dihydroisoquinoline is sourced from PubChem (CID 176702040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).