N-propyl-N-(trifluoromethyl)formamide

C5H8F3NO — CID 87321400

IUPACN-propyl-N-(trifluoromethyl)formamide
SMILESCCCN(C=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-2-3-9(4-10)5(6,7)8/h4H,2-3H2,1H3
InChIKeyJTTRMRSBEYYMLN-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.37
Rot. Bonds3

About N-propyl-N-(trifluoromethyl)formamide

N-propyl-N-(trifluoromethyl)formamide (PubChem CID 87321400) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is N-propyl-N-(trifluoromethyl)formamide.

Molecular Properties

Compound NameN-propyl-N-(trifluoromethyl)formamide
PubChem CID87321400
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC NameN-propyl-N-(trifluoromethyl)formamide
SMILESCCCN(C=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-2-3-9(4-10)5(6,7)8/h4H,2-3H2,1H3
InChIKeyJTTRMRSBEYYMLN-UHFFFAOYSA-N
XLogP1.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,3,4,4,4-hexafluorobutyl)-N-methylformamide
CID 17997699
N-methyl-N-(2,2,2-trifluoroethyl)formamide
CID 18715521
N-methyl-N-propylcarbamoyl fluoride
CID 18737102
N-Methyl-N-propylformamide
CID 19070644
N,N-bis(2,3-difluoropropyl)formamide
CID 21311164
N-methyl-N-(4,4,5,5,5-pentafluoropentyl)formamide
CID 53910297
N-(2,2,3,3,4,4,4-heptafluorobutyl)-N-methylformamide
CID 54251533
N-ethyl-N-(2,2,2-trifluoroethyl)formamide
CID 54553159
N-ethyl-N-(trifluoromethyl)formamide
CID 56616567
N-(difluoromethyl)-N-propan-2-ylformamide
CID 56620564
CID 59886665
CID 59886665
N-propan-2-yl-N-(2,2,2-trifluoroethyl)formamide
CID 64992200

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(trifluoromethyl)formamide?
The IUPAC name of N-propyl-N-(trifluoromethyl)formamide (CID 87321400) is N-propyl-N-(trifluoromethyl)formamide.
What is the SMILES notation for N-propyl-N-(trifluoromethyl)formamide?
The canonical SMILES for N-propyl-N-(trifluoromethyl)formamide is CCCN(C=O)C(F)(F)F.
What is the InChIKey of N-propyl-N-(trifluoromethyl)formamide?
The InChIKey is JTTRMRSBEYYMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-2-3-9(4-10)5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of N-propyl-N-(trifluoromethyl)formamide?
N-propyl-N-(trifluoromethyl)formamide has a molecular weight of 155.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(trifluoromethyl)formamide is sourced from PubChem (CID 87321400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).