1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane

C10H16F2O — CID 176865867

IUPAC1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane
SMILESCC(C)C12CCC(C(F)F)(C1)OC2
InChIInChI=1S/C10H16F2O/c1-7(2)9-3-4-10(5-9,8(11)12)13-6-9/h7-8H,3-6H2,1-2H3
InChIKeyDFHHHYWCXQADIL-UHFFFAOYSA-N
MW190.23 g/mol
LogP2.85
Rot. Bonds2

About 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane

1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane (PubChem CID 176865867) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane
PubChem CID176865867
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane
SMILESCC(C)C12CCC(C(F)F)(C1)OC2
InChIInChI=1S/C10H16F2O/c1-7(2)9-3-4-10(5-9,8(11)12)13-6-9/h7-8H,3-6H2,1-2H3
InChIKeyDFHHHYWCXQADIL-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl-4-(methylethyl)oxabicyclo[2.2.1]heptane
CID 129719615
3-Oxa-4-(trifluoromethyl)bornane
CID 91700767
(1R,3S,4S,7R)-1-ethyl-5,5-difluoro-3,7-dimethyl-2-oxabicyclo[2.2.1]heptane
CID 59638476
4,5-Ditert-butyl-2,3-dimethyl-2-(trifluoromethyl)oxolane
CID 176860467
CID 178087711
CID 178087711
(1S,4R)-4,7,7-trimethyl-1-(trifluoromethyl)-2-oxabicyclo[2.2.1]heptane
CID 15487078
1,7,7-Trimethyl-2-oxabicyclo[2.2.1]heptane
CID 54007383
1-Propan-2-yl-2-oxabicyclo[2.2.1]heptane
CID 158091563
4-Propan-2-yl-2-oxabicyclo[2.2.1]heptane
CID 164708119
4-Tert-butyl-1-methyl-2-oxabicyclo[2.2.1]heptane
CID 166563075
(1R)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane
CID 176862081
(4S)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane
CID 176862082

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane?
The IUPAC name of 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane (CID 176865867) is 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane?
The canonical SMILES for 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane is CC(C)C12CCC(C(F)F)(C1)OC2.
What is the InChIKey of 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane?
The InChIKey is DFHHHYWCXQADIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-7(2)9-3-4-10(5-9,8(11)12)13-6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane?
1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane has a molecular weight of 190.23 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-propan-2-yl-2-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 176865867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).