N-[(3,3-difluorocyclopentyl)methyl]propanamide

C9H15F2NO — CID 131084528

IUPACN-[(3,3-difluorocyclopentyl)methyl]propanamide
SMILESCCC(=O)NCC1CCC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-2-8(13)12-6-7-3-4-9(10,11)5-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeySWEXXRRULJYVKD-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.95
Rot. Bonds3

About N-[(3,3-difluorocyclopentyl)methyl]propanamide

N-[(3,3-difluorocyclopentyl)methyl]propanamide (PubChem CID 131084528) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]propanamide.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]propanamide
PubChem CID131084528
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]propanamide
SMILESCCC(=O)NCC1CCC(F)(F)C1
InChIInChI=1S/C9H15F2NO/c1-2-8(13)12-6-7-3-4-9(10,11)5-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeySWEXXRRULJYVKD-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

N-[(4,4-dimethylcyclohexyl)methyl]propanamide
CID 130164605
3-[(3,3-difluorocyclopentyl)methylcarbamoylamino]propanoic acid
CID 122012735
N-tert-butyl-3-[(3,3-difluorocyclopentyl)methylamino]propanamide
CID 114223914
N-[[(3R)-piperidin-1-ium-3-yl]methyl]propanamide
CID 7183073
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
methyl (2S)-2-[[(1S)-3,3-difluorocyclopentyl]methyl]butanoate
CID 58484957
1-[(3,3-difluorocyclobutyl)methyl]-3-propan-2-ylurea
CID 130758492
N-[(1-iodopiperidin-4-yl)methyl]propanamide
CID 146581381
S-[(3,3-difluorocyclopentyl)methyl] ethanethioate
CID 119030898
1-[[(3,3-difluorocyclopentyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 114223847
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 108932797

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]propanamide?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]propanamide (CID 131084528) is N-[(3,3-difluorocyclopentyl)methyl]propanamide.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]propanamide?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]propanamide is CCC(=O)NCC1CCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]propanamide?
The InChIKey is SWEXXRRULJYVKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-2-8(13)12-6-7-3-4-9(10,11)5-7/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]propanamide?
N-[(3,3-difluorocyclopentyl)methyl]propanamide has a molecular weight of 191.22 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]propanamide is sourced from PubChem (CID 131084528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).