N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C8H9Cl2F6NO — CID 103310045

IUPACN,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCCl)CCCl
InChIInChI=1S/C8H9Cl2F6NO/c9-1-3-17(4-2-10)6(18)5(7(11,12)13)8(14,15)16/h5H,1-4H2
InChIKeyHOWHWNRFTNKSFM-UHFFFAOYSA-N
MW320.06 g/mol
LogP3.03
Rot. Bonds5

About N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103310045) has the molecular formula C8H9Cl2F6NO and a molecular weight of 320.06 g/mol. Its IUPAC name is N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103310045
Molecular FormulaC8H9Cl2F6NO
Molecular Weight320.06 g/mol
Exact Mass319.00
IUPAC NameN,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(C(C(F)(F)F)C(F)(F)F)N(CCCl)CCCl
InChIInChI=1S/C8H9Cl2F6NO/c9-1-3-17(4-2-10)6(18)5(7(11,12)13)8(14,15)16/h5H,1-4H2
InChIKeyHOWHWNRFTNKSFM-UHFFFAOYSA-N
XLogP3.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.06
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 54592505
3-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948138
2-chloro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60948268
2-chloro-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 60949159
3-chloro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62727402
N-butyl-3-chloro-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62727414
3-chloro-2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62727415
3-chloro-2-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 62728150
3-chloro-2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728335
3-chloro-N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62728719
N-(2-chloroethyl)-3,3,3-trifluoro-N-methylpropanamide
CID 63391437
N-butyl-N-(2-chloroethyl)-3,3,3-trifluoropropanamide
CID 63391864

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103310045) is N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(C(C(F)(F)F)C(F)(F)F)N(CCCl)CCCl.
What is the InChIKey of N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is HOWHWNRFTNKSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2F6NO/c9-1-3-17(4-2-10)6(18)5(7(11,12)13)8(14,15)16/h5H,1-4H2.
What are the key properties of N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 320.06 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-chloroethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).