N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide

C5H8F3NO2 — CID 87321686

IUPACN-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
SMILESO=CN(CCCO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)9(4-11)2-1-3-10/h4,10H,1-3H2
InChIKeyHMOLNGYOQFTFJI-UHFFFAOYSA-N
MW171.12 g/mol
LogP0.35
Rot. Bonds4

About N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide

N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide (PubChem CID 87321686) has the molecular formula C5H8F3NO2 and a molecular weight of 171.12 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
PubChem CID87321686
Molecular FormulaC5H8F3NO2
Molecular Weight171.12 g/mol
Exact Mass171.05
IUPAC NameN-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
SMILESO=CN(CCCO)C(F)(F)F
InChIInChI=1S/C5H8F3NO2/c6-5(7,8)9(4-11)2-1-3-10/h4,10H,1-3H2
InChIKeyHMOLNGYOQFTFJI-UHFFFAOYSA-N
XLogP0.35
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-hydroxypropyl)-N-methylformamide
CID 54516038
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
N-(difluoromethyl)-N-(3-hydroxypropyl)formamide
CID 87322077
2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide
CID 139911894
N-(1-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 173056079
N-(difluoromethyl)-N-(1-hydroxypropyl)formamide
CID 173056152
N-formyl-N-(3-hydroxypropyl)formamide
CID 46916279
N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103513988
N-(2,2-difluoro-3-hydroxypropyl)formamide
CID 106168435
N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide
CID 115771235
N-(2,2-difluoropropyl)-N-(2-hydroxyethyl)formamide
CID 143045920
N,N-bis(3-hydroxypropyl)formamide
CID 21847832

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide?
The IUPAC name of N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide (CID 87321686) is N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide.
What is the SMILES notation for N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide?
The canonical SMILES for N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide is O=CN(CCCO)C(F)(F)F.
What is the InChIKey of N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide?
The InChIKey is HMOLNGYOQFTFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2/c6-5(7,8)9(4-11)2-1-3-10/h4,10H,1-3H2.
What are the key properties of N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide?
N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide has a molecular weight of 171.12 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-(trifluoromethyl)formamide is sourced from PubChem (CID 87321686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).