1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide

C18H34FNO — CID 89469081

IUPAC1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide
SMILESCC(C)N(C(=O)C1(CC(C)(C)C)C(F)CC1(C)C)C(C)C
InChIInChI=1S/C18H34FNO/c1-12(2)20(13(3)4)15(21)18(11-16(5,6)7)14(19)10-17(18,8)9/h12-14H,10-11H2,1-9H3
InChIKeyYUTGCCBIMSEHKU-UHFFFAOYSA-N
MW299.47 g/mol
LogP4.82
Rot. Bonds4

About 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide

1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide (PubChem CID 89469081) has the molecular formula C18H34FNO and a molecular weight of 299.47 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide
PubChem CID89469081
Molecular FormulaC18H34FNO
Molecular Weight299.47 g/mol
Exact Mass299.26
IUPAC Name1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide
SMILESCC(C)N(C(=O)C1(CC(C)(C)C)C(F)CC1(C)C)C(C)C
InChIInChI=1S/C18H34FNO/c1-12(2)20(13(3)4)15(21)18(11-16(5,6)7)14(19)10-17(18,8)9/h12-14H,10-11H2,1-9H3
InChIKeyYUTGCCBIMSEHKU-UHFFFAOYSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.47
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide (CID 89469081) is 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide is CC(C)N(C(=O)C1(CC(C)(C)C)C(F)CC1(C)C)C(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is YUTGCCBIMSEHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FNO/c1-12(2)20(13(3)4)15(21)18(11-16(5,6)7)14(19)10-17(18,8)9/h12-14H,10-11H2,1-9H3.
What are the key properties of 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide?
1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 299.47 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-fluoro-2,2-dimethyl-N,N-di(propan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 89469081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).