N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide

C10H14ClF2NO — CID 131047751

IUPACN-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide
SMILESO=C(NC1(CCl)CC1)C1CCCC1(F)F
InChIInChI=1S/C10H14ClF2NO/c11-6-9(4-5-9)14-8(15)7-2-1-3-10(7,12)13/h7H,1-6H2,(H,14,15)
InChIKeySTTARAKHIZEBAT-UHFFFAOYSA-N
MW237.68 g/mol
LogP2.31
Rot. Bonds3

About N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide

N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide (PubChem CID 131047751) has the molecular formula C10H14ClF2NO and a molecular weight of 237.68 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide
PubChem CID131047751
Molecular FormulaC10H14ClF2NO
Molecular Weight237.68 g/mol
Exact Mass237.07
IUPAC NameN-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide
SMILESO=C(NC1(CCl)CC1)C1CCCC1(F)F
InChIInChI=1S/C10H14ClF2NO/c11-6-9(4-5-9)14-8(15)7-2-1-3-10(7,12)13/h7H,1-6H2,(H,14,15)
InChIKeySTTARAKHIZEBAT-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(chloromethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 114170496
N-cyclopropyl-2,2-difluorocyclopentane-1-carboxamide
CID 131101773
2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid
CID 130636476
N-[4-(chloromethyl)oxan-4-yl]cyclooctanecarboxamide
CID 114170539
N-[1-(chloromethyl)-4-methylcyclohexyl]cycloheptanecarboxamide
CID 114304280
N-[1-(hydroxymethyl)cyclopropyl]cycloheptanecarboxamide
CID 115764905
N-[1-(chloromethyl)cyclopropyl]-2-cycloheptylacetamide
CID 114459153
N-[1-(chloromethyl)-3-methylcyclohexyl]acetamide
CID 114303940
N-[1-(chloromethyl)cyclobutyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 131182239
N-[1-(hydroxymethyl)cyclobutyl]cyclopropanecarboxamide
CID 115878461
2,2-difluoro-N-[2-(prop-2-enoylamino)ethyl]cyclohexane-1-carboxamide
CID 154832544
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide?
The IUPAC name of N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide (CID 131047751) is N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide is O=C(NC1(CCl)CC1)C1CCCC1(F)F.
What is the InChIKey of N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide?
The InChIKey is STTARAKHIZEBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2NO/c11-6-9(4-5-9)14-8(15)7-2-1-3-10(7,12)13/h7H,1-6H2,(H,14,15).
What are the key properties of N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide?
N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide has a molecular weight of 237.68 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopropyl]-2,2-difluorocyclopentane-1-carboxamide is sourced from PubChem (CID 131047751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).