N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide

C8H11ClF3NO — CID 115456031

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC1(CCl)CC1
InChIInChI=1S/C8H11ClF3NO/c9-4-7(1-2-7)5-13-6(14)3-8(10,11)12/h1-5H2,(H,13,14)
InChIKeyWTPGGCFABQZDSH-UHFFFAOYSA-N
MW229.63 g/mol
LogP2.07
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide (PubChem CID 115456031) has the molecular formula C8H11ClF3NO and a molecular weight of 229.63 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide
PubChem CID115456031
Molecular FormulaC8H11ClF3NO
Molecular Weight229.63 g/mol
Exact Mass229.05
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide
SMILESO=C(CC(F)(F)F)NCC1(CCl)CC1
InChIInChI=1S/C8H11ClF3NO/c9-4-7(1-2-7)5-13-6(14)3-8(10,11)12/h1-5H2,(H,13,14)
InChIKeyWTPGGCFABQZDSH-UHFFFAOYSA-N
XLogP2.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 52.07
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

2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 45840375
4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 24709107
4-chloro-N-(2,2-difluoroethyl)butanamide
CID 115406166
N-(2-chloro-3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 15577176
(1R)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 51969477
(1S)-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 51969478
4-chloro-N-(3,3,3-trifluoropropyl)butanamide
CID 63308495
3-chloro-2,2-dimethyl-N-(3,3,3-trifluoropropyl)propanamide
CID 63665504
N-[[1-(chloromethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212595
N-(4-chloro-2-ethylbutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311020
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311055
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103311094

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide (CID 115456031) is N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide is O=C(CC(F)(F)F)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide?
The InChIKey is WTPGGCFABQZDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClF3NO/c9-4-7(1-2-7)5-13-6(14)3-8(10,11)12/h1-5H2,(H,13,14).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide has a molecular weight of 229.63 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 115456031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).