3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene

C37H42ClF2N — CID 157302153

IUPAC3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene
SMILESCC(C)c1ccc(F)c2c1C(Cl)=CC2.CC(C)c1ccc(F)c2c1C=CC2.CCc1ccc(C(C)C)c2cc[nH]c12
InChIInChI=1S/C13H17N.C12H12ClF.C12H13F/c1-4-10-5-6-11(9(2)3)12-7-8-14-13(10)12;1-7(2)8-4-6-11(14)9-3-5-10(13)12(8)9;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11/h5-9,14H,4H2,1-3H3;4-7H,3H2,1-2H3;3-4,6-8H,5H2,1-2H3
InChIKeyBCALFORJWJTGMV-UHFFFAOYSA-N
MW574.20 g/mol
LogP11.46
Rot. Bonds4

About 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene

3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene (PubChem CID 157302153) has the molecular formula C37H42ClF2N and a molecular weight of 574.20 g/mol. Its IUPAC name is 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene.

Molecular Properties

Compound Name3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene
PubChem CID157302153
Molecular FormulaC37H42ClF2N
Molecular Weight574.20 g/mol
Exact Mass573.30
IUPAC Name3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene
SMILESCC(C)c1ccc(F)c2c1C(Cl)=CC2.CC(C)c1ccc(F)c2c1C=CC2.CCc1ccc(C(C)C)c2cc[nH]c12
InChIInChI=1S/C13H17N.C12H12ClF.C12H13F/c1-4-10-5-6-11(9(2)3)12-7-8-14-13(10)12;1-7(2)8-4-6-11(14)9-3-5-10(13)12(8)9;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11/h5-9,14H,4H2,1-3H3;4-7H,3H2,1-2H3;3-4,6-8H,5H2,1-2H3
InChIKeyBCALFORJWJTGMV-UHFFFAOYSA-N
XLogP11.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.20
LogP ≤ 511.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Launch Full Analysis

Related Compounds

6-chloro-7-methyl-4-propan-2-yl-1H-indole;4-chloro-1-propan-2-yl-5H-cyclopenta[c]pyridine;7-chloro-4-propan-2-yl-1H-indazole;6-fluoro-7-methoxy-4-propan-2-yl-1H-indazole;6-fluoro-7-methyl-4-propan-2-yl-1H-indole;(5-fluoro-4-propan-2-yl-1H-indol-7-yl)methanol
CID 157316304
5-chloro-7-ethyl-1H-indole
CID 146537999
dimethyl-bis(7-propan-2-yl-3H-inden-4-yl)silane
CID 139707743
3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one
CID 135197002
tert-butyl-[(4-fluoro-1H-indol-7-yl)methoxy]-dimethylsilane
CID 53399504
1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
4-ethyl-7-methyl-1H-indene;molecular hydrogen
CID 142066088
2-ethyl-4-(4-fluoro-3-methylphenoxy)-1-propan-2-ylbenzene
CID 176946353
5,7-diethyl-1H-indol-4-amine
CID 90089141
3-ethyl-6,7-difluoro-1H-indole
CID 130050075
1-ethyl-2-methoxy-4-propan-2-yl-3-(trifluoromethyl)benzene
CID 176934964
2-tert-butyl-1-ethyl-4-propan-2-yl-3-propan-2-yloxybenzene
CID 159108769

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene?
The IUPAC name of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene (CID 157302153) is 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene.
What is the SMILES notation for 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene?
The canonical SMILES for 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene is CC(C)c1ccc(F)c2c1C(Cl)=CC2.CC(C)c1ccc(F)c2c1C=CC2.CCc1ccc(C(C)C)c2cc[nH]c12.
What is the InChIKey of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene?
The InChIKey is BCALFORJWJTGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N.C12H12ClF.C12H13F/c1-4-10-5-6-11(9(2)3)12-7-8-14-13(10)12;1-7(2)8-4-6-11(14)9-3-5-10(13)12(8)9;1-8(2)9-6-7-12(13)11-5-3-4-10(9)11/h5-9,14H,4H2,1-3H3;4-7H,3H2,1-2H3;3-4,6-8H,5H2,1-2H3.
What are the key properties of 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene?
3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene has a molecular weight of 574.20 g/mol, XLogP of 11.46, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-fluoro-4-propan-2-yl-1H-indene;7-ethyl-4-propan-2-yl-1H-indole;7-fluoro-4-propan-2-yl-1H-indene is sourced from PubChem (CID 157302153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).