3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide

C9H15F2NO — CID 118332021

IUPAC3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-6(2)12-8(13)7-3-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyBPDLNBGWDWPIMT-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.95
Rot. Bonds2

About 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide

3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide (PubChem CID 118332021) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide
PubChem CID118332021
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide
SMILESCC(C)NC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-6(2)12-8(13)7-3-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyBPDLNBGWDWPIMT-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide (CID 118332021) is 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide is CC(C)NC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide?
The InChIKey is BPDLNBGWDWPIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-6(2)12-8(13)7-3-4-9(10,11)5-7/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide?
3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide has a molecular weight of 191.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propan-2-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 118332021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).