N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide

C10H15F2NO — CID 164642741

IUPACN-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
SMILESC[C@H](NC(=O)C1CC=CC1)C(C)(F)F
InChIInChI=1S/C10H15F2NO/c1-7(10(2,11)12)13-9(14)8-5-3-4-6-8/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyXIFSQCMHANZZTK-ZETCQYMHSA-N
MW203.23 g/mol
LogP2.11
Rot. Bonds3

About N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide

N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide (PubChem CID 164642741) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
PubChem CID164642741
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC NameN-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide
SMILESC[C@H](NC(=O)C1CC=CC1)C(C)(F)F
InChIInChI=1S/C10H15F2NO/c1-7(10(2,11)12)13-9(14)8-5-3-4-6-8/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t7-/m0/s1
InChIKeyXIFSQCMHANZZTK-ZETCQYMHSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide (CID 164642741) is N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide is C[C@H](NC(=O)C1CC=CC1)C(C)(F)F.
What is the InChIKey of N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide?
The InChIKey is XIFSQCMHANZZTK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-7(10(2,11)12)13-9(14)8-5-3-4-6-8/h3-4,7-8H,5-6H2,1-2H3,(H,13,14)/t7-/m0/s1.
What are the key properties of N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide?
N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide has a molecular weight of 203.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-difluorobutan-2-yl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 164642741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).