N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

C9H15ClFNO — CID 130941395

IUPACN-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(C)(CCl)NC(=O)C1(C)CC1F
InChIInChI=1S/C9H15ClFNO/c1-8(2,5-10)12-7(13)9(3)4-6(9)11/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyLTQLZJVZUXQISM-UHFFFAOYSA-N
MW207.68 g/mol
LogP1.87
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide

N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 130941395) has the molecular formula C9H15ClFNO and a molecular weight of 207.68 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
PubChem CID130941395
Molecular FormulaC9H15ClFNO
Molecular Weight207.68 g/mol
Exact Mass207.08
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide
SMILESCC(C)(CCl)NC(=O)C1(C)CC1F
InChIInChI=1S/C9H15ClFNO/c1-8(2,5-10)12-7(13)9(3)4-6(9)11/h6H,4-5H2,1-3H3,(H,12,13)
InChIKeyLTQLZJVZUXQISM-UHFFFAOYSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.68
LogP ≤ 51.87
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-(1,3-dichloro-2-methylpropan-2-yl)-4,4,4-trifluorobutanamide
CID 81966404
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]butanamide
CID 106211141
3-chloro-2,2-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]propanamide
CID 106211145
N-[1-chloro-2-(chloromethyl)butan-2-yl]-4,4,4-trifluorobutanamide
CID 107867696
N-(1-chloro-2-methylpropan-2-yl)-4,4,4-trifluorobutanamide
CID 114295243
N-(1-chloro-2-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 114303772
N-(4-chloro-2-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 116345308
N-[1-(chloromethyl)cyclopropyl]-4,4,4-trifluorobutanamide
CID 116349628
N-(3-chloro-2-methylbutan-2-yl)-3,3,3-trifluoropropanamide
CID 116359891
N-(3-chloro-2-methylbutan-2-yl)-4,4,4-trifluorobutanamide
CID 116359976
N-[1-(chloromethyl)cyclobutyl]-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 130941396
N-[1-(chloromethyl)cyclopropyl]-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 130952061

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide (CID 130941395) is N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is CC(C)(CCl)NC(=O)C1(C)CC1F.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is LTQLZJVZUXQISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClFNO/c1-8(2,5-10)12-7(13)9(3)4-6(9)11/h6H,4-5H2,1-3H3,(H,12,13).
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide?
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 207.68 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 130941395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).