N-tert-butyl-2-fluorocyclopentene-1-carboxamide

C10H16FNO — CID 59860495

IUPACN-tert-butyl-2-fluorocyclopentene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C10H16FNO/c1-10(2,3)12-9(13)7-5-4-6-8(7)11/h4-6H2,1-3H3,(H,12,13)
InChIKeyXCQRZQPBBJRFMT-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.31
Rot. Bonds1

About N-tert-butyl-2-fluorocyclopentene-1-carboxamide

N-tert-butyl-2-fluorocyclopentene-1-carboxamide (PubChem CID 59860495) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-tert-butyl-2-fluorocyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-fluorocyclopentene-1-carboxamide
PubChem CID59860495
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-tert-butyl-2-fluorocyclopentene-1-carboxamide
SMILESCC(C)(C)NC(=O)C1=C(F)CCC1
InChIInChI=1S/C10H16FNO/c1-10(2,3)12-9(13)7-5-4-6-8(7)11/h4-6H2,1-3H3,(H,12,13)
InChIKeyXCQRZQPBBJRFMT-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-fluorocyclopentene-1-carboxamide?
The IUPAC name of N-tert-butyl-2-fluorocyclopentene-1-carboxamide (CID 59860495) is N-tert-butyl-2-fluorocyclopentene-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-fluorocyclopentene-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-fluorocyclopentene-1-carboxamide is CC(C)(C)NC(=O)C1=C(F)CCC1.
What is the InChIKey of N-tert-butyl-2-fluorocyclopentene-1-carboxamide?
The InChIKey is XCQRZQPBBJRFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-10(2,3)12-9(13)7-5-4-6-8(7)11/h4-6H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-2-fluorocyclopentene-1-carboxamide?
N-tert-butyl-2-fluorocyclopentene-1-carboxamide has a molecular weight of 185.24 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-fluorocyclopentene-1-carboxamide is sourced from PubChem (CID 59860495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).