7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane

C16H21ClFN — CID 144948381

IUPAC7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
SMILESCC1C(c2cccc(Cl)c2F)CNC12CC(C)(C)C2
InChIInChI=1S/C16H21ClFN/c1-10-12(11-5-4-6-13(17)14(11)18)7-19-16(10)8-15(2,3)9-16/h4-6,10,12,19H,7-9H2,1-3H3
InChIKeyOKILNHYPJSFUTQ-UHFFFAOYSA-N
MW281.80 g/mol
LogP4.36
Rot. Bonds1

About 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane

7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane (PubChem CID 144948381) has the molecular formula C16H21ClFN and a molecular weight of 281.80 g/mol. Its IUPAC name is 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
PubChem CID144948381
Molecular FormulaC16H21ClFN
Molecular Weight281.80 g/mol
Exact Mass281.13
IUPAC Name7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane
SMILESCC1C(c2cccc(Cl)c2F)CNC12CC(C)(C)C2
InChIInChI=1S/C16H21ClFN/c1-10-12(11-5-4-6-13(17)14(11)18)7-19-16(10)8-15(2,3)9-16/h4-6,10,12,19H,7-9H2,1-3H3
InChIKeyOKILNHYPJSFUTQ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.80
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane with MolForge

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Related Compounds

3-(3-chloro-2-fluorophenyl)-4-methylpyrrolidine
CID 130874669
4-(3-chloro-2-fluorophenyl)-3-(4-chlorophenyl)piperidine
CID 114489277
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazolidine
CID 114488647
N-[1-[7-(3-chloro-2-fluorophenyl)-5-azaspiro[3.4]octan-8-yl]ethenyl]-3-methylcyclohexa-2,4-dien-1-amine
CID 163252874
3-(3-chloro-2-fluorophenyl)-N-[(2E,4Z)-3-chlorohepta-2,4-dien-6-ynyl]-8,8-dimethyl-1-azaspiro[4.5]decane-4-carboxamide
CID 146200735
2-tert-butyl-4-(3-chloro-2-fluorophenyl)pyrrolidin-3-amine
CID 129059415
2-(3-chloro-2-fluorophenyl)-5-methyl-1,3-thiazinane
CID 114488651
3-[4-(3-chloro-2-fluorophenyl)-3-methylpyrrolidin-2-yl]-2,2-dimethylpropan-1-ol
CID 129059515
1-[2-(3-chloro-2-fluorophenyl)cyclopropyl]-N-methylmethanamine
CID 114488832
(3S)-3-(3-chloro-2-fluorophenyl)pyrrolidine
CID 131096637
(4S)-4-(3-chloro-2-fluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188426
1-[(3-chloro-2-fluorophenyl)methyl]-2,5,5-trimethylpiperazine
CID 102862477

Frequently Asked Questions

What is the IUPAC name of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
The IUPAC name of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane (CID 144948381) is 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane.
What is the SMILES notation for 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
The canonical SMILES for 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane is CC1C(c2cccc(Cl)c2F)CNC12CC(C)(C)C2.
What is the InChIKey of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
The InChIKey is OKILNHYPJSFUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN/c1-10-12(11-5-4-6-13(17)14(11)18)7-19-16(10)8-15(2,3)9-16/h4-6,10,12,19H,7-9H2,1-3H3.
What are the key properties of 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane?
7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane has a molecular weight of 281.80 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chloro-2-fluorophenyl)-2,2,8-trimethyl-5-azaspiro[3.4]octane is sourced from PubChem (CID 144948381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).