4,5-dihydro-1,3-oxazole;fluoroform

C4H6F3NO — CID 159786664

IUPAC4,5-dihydro-1,3-oxazole;fluoroform
SMILESC1=NCCO1.FC(F)F
InChIInChI=1S/C3H5NO.CHF3/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2;1H
InChIKeyNIANGEZARZFGPZ-UHFFFAOYSA-N
MW141.09 g/mol
LogP1.22
Rot. Bonds

About 4,5-dihydro-1,3-oxazole;fluoroform

4,5-dihydro-1,3-oxazole;fluoroform (PubChem CID 159786664) has the molecular formula C4H6F3NO and a molecular weight of 141.09 g/mol. Its IUPAC name is 4,5-dihydro-1,3-oxazole;fluoroform.

Molecular Properties

Compound Name4,5-dihydro-1,3-oxazole;fluoroform
PubChem CID159786664
Molecular FormulaC4H6F3NO
Molecular Weight141.09 g/mol
Exact Mass141.04
IUPAC Name4,5-dihydro-1,3-oxazole;fluoroform
SMILESC1=NCCO1.FC(F)F
InChIInChI=1S/C3H5NO.CHF3/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2;1H
InChIKeyNIANGEZARZFGPZ-UHFFFAOYSA-N
XLogP1.22
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.09
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Trifluoromethyl)-2-oxazoline
CID 13429037
Fluorooxazoline
CID 21916572
Bis-fluoro-oxazoline
CID 129833071
4-Fluorooxazoline
CID 129877168
4,5-Difluoro-2-oxazoline
CID 129862287
4-(Trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 21616645
4-(Trifluoromethoxy)-4,5-dihydro-1,3-oxazole
CID 123314868
5-(Trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 123333119
2,5-Difluoro-4,5-dihydro-1,3-oxazole
CID 146393080
5-Fluoro-4,5-dihydro-1,3-oxazole
CID 149159814
(4R)-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
CID 151959941
4-(Difluoromethyl)-4,5-dihydro-1,3-oxazole
CID 173378923

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-oxazole;fluoroform?
The IUPAC name of 4,5-dihydro-1,3-oxazole;fluoroform (CID 159786664) is 4,5-dihydro-1,3-oxazole;fluoroform.
What is the SMILES notation for 4,5-dihydro-1,3-oxazole;fluoroform?
The canonical SMILES for 4,5-dihydro-1,3-oxazole;fluoroform is C1=NCCO1.FC(F)F.
What is the InChIKey of 4,5-dihydro-1,3-oxazole;fluoroform?
The InChIKey is NIANGEZARZFGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5NO.CHF3/c1-2-5-3-4-1;2-1(3)4/h3H,1-2H2;1H.
What are the key properties of 4,5-dihydro-1,3-oxazole;fluoroform?
4,5-dihydro-1,3-oxazole;fluoroform has a molecular weight of 141.09 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-oxazole;fluoroform is sourced from PubChem (CID 159786664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).