5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]

C14H17F2N — CID 106701866

IUPAC5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]
SMILESFc1cc(F)c2c(c1)C1(CCCCCC1)CN2
InChIInChI=1S/C14H17F2N/c15-10-7-11-13(12(16)8-10)17-9-14(11)5-3-1-2-4-6-14/h7-8,17H,1-6,9H2
InChIKeySESZLULVCNTBRY-UHFFFAOYSA-N
MW237.29 g/mol
LogP3.98
Rot. Bonds

About 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]

5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane] (PubChem CID 106701866) has the molecular formula C14H17F2N and a molecular weight of 237.29 g/mol. Its IUPAC name is 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane].

Molecular Properties

Compound Name5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]
PubChem CID106701866
Molecular FormulaC14H17F2N
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]
SMILESFc1cc(F)c2c(c1)C1(CCCCCC1)CN2
InChIInChI=1S/C14H17F2N/c15-10-7-11-13(12(16)8-10)17-9-14(11)5-3-1-2-4-6-14/h7-8,17H,1-6,9H2
InChIKeySESZLULVCNTBRY-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,7-difluorospiro[1,2-dihydroindole-3,4'-oxane]
CID 106701657
5,7-dichlorospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 102168936
6-fluorospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115024124
3-ethyl-5,7-difluoro-3-methyl-1,2-dihydroindole
CID 106701849
6,8-difluorospiro[1,3,4,5-tetrahydro-1,5-benzodiazepine-2,1'-cyclopentane]
CID 113325806
7-fluorospiro[1,2-dihydroindole-3,3'-pyrrolidine]
CID 83830130
6-bromospiro[1,2-dihydroindole-3,1'-cyclohexane]
CID 115049494
spiro[1,2-dihydroindole-3,1'-cyclohexane];hydrochloride
CID 75465012
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
6,8-difluoro-3,3,4-trimethyl-1,2-dihydroquinoxaline
CID 84621650
7-(trifluoromethyl)spiro[1,2-dihydroindole-3,1'-cyclobutane]
CID 106701762
3,3-diethyl-6,8-difluoro-1,2,4,5-tetrahydro-1,5-benzodiazepine
CID 115510199

Frequently Asked Questions

What is the IUPAC name of 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]?
The IUPAC name of 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane] (CID 106701866) is 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane].
What is the SMILES notation for 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]?
The canonical SMILES for 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane] is Fc1cc(F)c2c(c1)C1(CCCCCC1)CN2.
What is the InChIKey of 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]?
The InChIKey is SESZLULVCNTBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N/c15-10-7-11-13(12(16)8-10)17-9-14(11)5-3-1-2-4-6-14/h7-8,17H,1-6,9H2.
What are the key properties of 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane]?
5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane] has a molecular weight of 237.29 g/mol, XLogP of 3.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluorospiro[1,2-dihydroindole-3,1'-cycloheptane] is sourced from PubChem (CID 106701866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).