2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine

C24H28FNO — CID 141001905

IUPAC2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine
SMILESCCCc1ccc2c(C3(F)C=CC=CC3C3NC(C)(C)CO3)cccc2c1
InChIInChI=1S/C24H28FNO/c1-4-8-17-12-13-19-18(15-17)9-7-11-20(19)24(25)14-6-5-10-21(24)22-26-23(2,3)16-27-22/h5-7,9-15,21-22,26H,4,8,16H2,1-3H3
InChIKeyPHHYEBLXXZIGGX-UHFFFAOYSA-N
MW365.49 g/mol
LogP5.42
Rot. Bonds4

About 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine

2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine (PubChem CID 141001905) has the molecular formula C24H28FNO and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine
PubChem CID141001905
Molecular FormulaC24H28FNO
Molecular Weight365.49 g/mol
Exact Mass365.22
IUPAC Name2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine
SMILESCCCc1ccc2c(C3(F)C=CC=CC3C3NC(C)(C)CO3)cccc2c1
InChIInChI=1S/C24H28FNO/c1-4-8-17-12-13-19-18(15-17)9-7-11-20(19)24(25)14-6-5-10-21(24)22-26-23(2,3)16-27-22/h5-7,9-15,21-22,26H,4,8,16H2,1-3H3
InChIKeyPHHYEBLXXZIGGX-UHFFFAOYSA-N
XLogP5.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine with MolForge

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Related Compounds

4,4-Diethyl-2-[4-[1-fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-1,3-oxazolidine
CID 18411091
2-[4-[1-Fluoro-6-(4-propylcyclohexyl)naphthalen-2-yl]phenyl]-4,4-dimethyl-1,3-oxazolidine
CID 21870592
2-[4-(1-Fluoro-6-propylnaphthalen-2-yl)phenyl]-4,4-dimethyl-1,3-oxazolidine
CID 21870974
2-[6-Fluoro-6-[6-(4-propylcyclohexyl)naphthalen-1-yl]cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine
CID 139823030
N-ethyl-1-naphthalen-2-yl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61756099
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-2-amine
CID 65304983
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methylpropan-1-amine
CID 65304984
N-ethyl-2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethanamine
CID 65304985
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-1-amine
CID 65305032
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]propan-2-amine
CID 65305034
N-[2-[2-(4-fluoronaphthalen-1-yl)ethoxy]ethyl]-2-methoxyethanamine
CID 65305081
2-(2,2-difluoroethoxy)-N-ethyl-1-naphthalen-2-ylethanamine
CID 82005150

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine (CID 141001905) is 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine is CCCc1ccc2c(C3(F)C=CC=CC3C3NC(C)(C)CO3)cccc2c1.
What is the InChIKey of 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is PHHYEBLXXZIGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FNO/c1-4-8-17-12-13-19-18(15-17)9-7-11-20(19)24(25)14-6-5-10-21(24)22-26-23(2,3)16-27-22/h5-7,9-15,21-22,26H,4,8,16H2,1-3H3.
What are the key properties of 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine?
2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 365.49 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-6-(6-propylnaphthalen-1-yl)cyclohexa-2,4-dien-1-yl]-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 141001905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).