N-(difluoromethyl)-N-(1-hydroxypropyl)formamide

C5H9F2NO2 — CID 173056152

IUPACN-(difluoromethyl)-N-(1-hydroxypropyl)formamide
SMILESCCC(O)N(C=O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-2-4(10)8(3-9)5(6)7/h3-5,10H,2H2,1H3
InChIKeySXTBZPQYHGFFPI-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.40
Rot. Bonds4

About N-(difluoromethyl)-N-(1-hydroxypropyl)formamide

N-(difluoromethyl)-N-(1-hydroxypropyl)formamide (PubChem CID 173056152) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is N-(difluoromethyl)-N-(1-hydroxypropyl)formamide.

Molecular Properties

Compound NameN-(difluoromethyl)-N-(1-hydroxypropyl)formamide
PubChem CID173056152
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC NameN-(difluoromethyl)-N-(1-hydroxypropyl)formamide
SMILESCCC(O)N(C=O)C(F)F
InChIInChI=1S/C5H9F2NO2/c1-2-4(10)8(3-9)5(6)7/h3-5,10H,2H2,1H3
InChIKeySXTBZPQYHGFFPI-UHFFFAOYSA-N
XLogP0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(3-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 87321686
N-(difluoromethyl)-N-(3-hydroxypropyl)formamide
CID 87322077
2,2,2-trifluoro-N-(1-hydroxybutyl)-N-methylacetamide
CID 88174553
2,2,2-trifluoro-N-(hydroxymethyl)-N-(3-hydroxypropyl)acetamide
CID 139911894
(2,2-Difluoro-4-hydroxybutyl)-methylcarbamic acid
CID 169764848
N-(1-hydroxypropyl)-N-(trifluoromethyl)formamide
CID 173056079
N-(difluoromethyl)-N-(1-hydroxyethyl)formamide
CID 173056141
N-(1-hydroxyethyl)-N-(trifluoromethyl)formamide
CID 173056201
N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
CID 103513988
N-ethyl-2,2,2-trifluoro-N-(3-hydroxypropyl)acetamide
CID 115771235

Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-N-(1-hydroxypropyl)formamide?
The IUPAC name of N-(difluoromethyl)-N-(1-hydroxypropyl)formamide (CID 173056152) is N-(difluoromethyl)-N-(1-hydroxypropyl)formamide.
What is the SMILES notation for N-(difluoromethyl)-N-(1-hydroxypropyl)formamide?
The canonical SMILES for N-(difluoromethyl)-N-(1-hydroxypropyl)formamide is CCC(O)N(C=O)C(F)F.
What is the InChIKey of N-(difluoromethyl)-N-(1-hydroxypropyl)formamide?
The InChIKey is SXTBZPQYHGFFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-2-4(10)8(3-9)5(6)7/h3-5,10H,2H2,1H3.
What are the key properties of N-(difluoromethyl)-N-(1-hydroxypropyl)formamide?
N-(difluoromethyl)-N-(1-hydroxypropyl)formamide has a molecular weight of 153.13 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-N-(1-hydroxypropyl)formamide is sourced from PubChem (CID 173056152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).