N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride

C7H10ClF2NO — CID 105451151

IUPACN-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCC(F)(F)C1
InChIInChI=1S/C7H10ClF2NO/c1-11(6(8)12)5-2-3-7(9,10)4-5/h5H,2-4H2,1H3
InChIKeyBVHIYKGKLVEXRW-UHFFFAOYSA-N
MW197.61 g/mol
LogP2.46
Rot. Bonds1

About N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride

N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride (PubChem CID 105451151) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride
PubChem CID105451151
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC NameN-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)C1CCC(F)(F)C1
InChIInChI=1S/C7H10ClF2NO/c1-11(6(8)12)5-2-3-7(9,10)4-5/h5H,2-4H2,1H3
InChIKeyBVHIYKGKLVEXRW-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-N-methylcarbamoyl chloride
CID 19070632
2-(Trifluoromethyl)pyrrolidine-1-carbonyl chloride
CID 88541375
(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl chloride
CID 156736284
(2S)-4,4-difluoro-2-methylpyrrolidine-1-carbonyl chloride
CID 149796882
N-cyclopentyl-N-ethylcarbamoyl chloride
CID 15335411
Cyclopentyl(methyl)carbamic chloride hydrochloride
CID 154729530

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride (CID 105451151) is N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)C1CCC(F)(F)C1.
What is the InChIKey of N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride?
The InChIKey is BVHIYKGKLVEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c1-11(6(8)12)5-2-3-7(9,10)4-5/h5H,2-4H2,1H3.
What are the key properties of N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride?
N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride has a molecular weight of 197.61 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluorocyclopentyl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 105451151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).