CID 154707774

C16H23F2NO2 — CID 154707774

IUPAC—
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(C2)C(F)(F)C12CC2
InChIInChI=1S/C16H23F2NO2/c1-13(2,3)21-12(20)19-10-4-5-11(19)9-15(8-10)14(6-7-14)16(15,17)18/h10-11H,4-9H2,1-3H3
InChIKeyMYHOSUUZODVVCQ-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.96
Rot. Bonds

About CID 154707774

CID 154707774 (PubChem CID 154707774) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol.

Molecular Properties

Compound NameCID 154707774
PubChem CID154707774
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name—
SMILESCC(C)(C)OC(=O)N1C2CCC1CC1(C2)C(F)(F)C12CC2
InChIInChI=1S/C16H23F2NO2/c1-13(2,3)21-12(20)19-10-4-5-11(19)9-15(8-10)14(6-7-14)16(15,17)18/h10-11H,4-9H2,1-3H3
InChIKeyMYHOSUUZODVVCQ-UHFFFAOYSA-N
XLogP3.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tert-butyl 1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707769
Tert-butyl 1',1'-difluoro-3'-methylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707770
Tert-butyl 1',1'-difluoro-3'-propan-2-ylspiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707771
Tert-butyl 3'-cyclopropyl-1',1'-difluorospiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707772
Tert-butyl 1',1'-difluoro-3'-(2-methylpropyl)spiro[8-azabicyclo[3.2.1]octane-3,2'-cyclopropane]-8-carboxylate
CID 154707773
CID 154707775
CID 154707775
Trifluoromethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614191
2,2-Difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 59614205
1,1-Difluoroethyl 3-tert-butyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70657721
Tert-butyl 3-fluoro-3-methyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 70815074
Tert-butyl 3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 118008385
tert-butyl (1R,5S)-3-(difluoromethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 176348822

Frequently Asked Questions

What is the IUPAC name of CID 154707774?
The IUPAC name of CID 154707774 (CID 154707774) is not available.
What is the SMILES notation for CID 154707774?
The canonical SMILES for CID 154707774 is CC(C)(C)OC(=O)N1C2CCC1CC1(C2)C(F)(F)C12CC2.
What is the InChIKey of CID 154707774?
The InChIKey is MYHOSUUZODVVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-13(2,3)21-12(20)19-10-4-5-11(19)9-15(8-10)14(6-7-14)16(15,17)18/h10-11H,4-9H2,1-3H3.
What are the key properties of CID 154707774?
CID 154707774 has a molecular weight of 299.36 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154707774 is sourced from PubChem (CID 154707774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).