3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide

C12H19F2NO3 — CID 114094528

IUPAC3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H19F2NO3/c1-8-11(17,4-5-18-8)7-15-10(16)9-2-3-12(13,14)6-9/h8-9,17H,2-7H2,1H3,(H,15,16)
InChIKeyYYMBRKCGYKELHN-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.08
Rot. Bonds3

About 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide

3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 114094528) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID114094528
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCC1OCCC1(O)CNC(=O)C1CCC(F)(F)C1
InChIInChI=1S/C12H19F2NO3/c1-8-11(17,4-5-18-8)7-15-10(16)9-2-3-12(13,14)6-9/h8-9,17H,2-7H2,1H3,(H,15,16)
InChIKeyYYMBRKCGYKELHN-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]heptanamide
CID 121557397
1-hydroxy-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]cyclopentane-1-carboxamide
CID 164634250
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103848977
N-[(3-hydroxyoxolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103849426
4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 103860805
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-(trifluoromethyl)propanamide
CID 106102924
N-[(3-hydroxyoxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106834422
4,4-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclohexane-1-carboxamide
CID 107301601
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107301818
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107302022
3,3,3-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]propanamide
CID 107302093
2,2-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107302105

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide (CID 114094528) is 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide is CC1OCCC1(O)CNC(=O)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is YYMBRKCGYKELHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c1-8-11(17,4-5-18-8)7-15-10(16)9-2-3-12(13,14)6-9/h8-9,17H,2-7H2,1H3,(H,15,16).
What are the key properties of 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114094528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).