(1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane

C6H7F3O — CID 148803960

IUPAC(1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane
SMILESFC1(F)CCC[C@]2(F)OC12
InChIInChI=1S/C6H7F3O/c7-5(8)2-1-3-6(9)4(5)10-6/h4H,1-3H2/t4?,6-/m0/s1
InChIKeyOOOWSTRCAFOXJA-RZKHNPSRSA-N
MW152.11 g/mol
LogP1.87
Rot. Bonds

About (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane

(1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane (PubChem CID 148803960) has the molecular formula C6H7F3O and a molecular weight of 152.11 g/mol. Its IUPAC name is (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane
PubChem CID148803960
Molecular FormulaC6H7F3O
Molecular Weight152.11 g/mol
Exact Mass152.04
IUPAC Name(1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane
SMILESFC1(F)CCC[C@]2(F)OC12
InChIInChI=1S/C6H7F3O/c7-5(8)2-1-3-6(9)4(5)10-6/h4H,1-3H2/t4?,6-/m0/s1
InChIKeyOOOWSTRCAFOXJA-RZKHNPSRSA-N
XLogP1.87
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8R)-7,7-difluorospiro[2.5]octan-8-amine
CID 162559331
1-fluoro-13-oxabicyclo[10.1.0]tridecane
CID 11052651
(1S,5S,6S)-1-bromo-5-chloro-5-fluoro-7-oxabicyclo[4.1.0]heptane
CID 10353779
3,3-difluoro-2-methyloxane
CID 146204349
3a,6a-difluoro-1,2,3,4,5,6-hexahydropentalene
CID 175896210
1,1-difluoro-2-methylcyclohexane
CID 15044189
(1-fluorocyclobutyl)phosphane
CID 134406254
(1R,6S)-2,2-difluorobicyclo[4.1.0]heptane
CID 163491628
cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
CID 10376231
4-(2,2-difluorocyclohexyl)benzaldehyde
CID 83856169
2-(1,1-difluoroethylsulfonyl)-1,1,3,3-tetrafluorocyclohexane
CID 58225678
2,2-difluorocyclohexan-1-amine;formic acid
CID 126843056

Frequently Asked Questions

What is the IUPAC name of (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane (CID 148803960) is (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane is FC1(F)CCC[C@]2(F)OC12.
What is the InChIKey of (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane?
The InChIKey is OOOWSTRCAFOXJA-RZKHNPSRSA-N. The full InChI is InChI=1S/C6H7F3O/c7-5(8)2-1-3-6(9)4(5)10-6/h4H,1-3H2/t4?,6-/m0/s1.
What are the key properties of (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane?
(1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.11 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,5,5-trifluoro-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 148803960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).