2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane

C10H17FO — CID 58841758

IUPAC2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane
SMILESCC(CF)OC1CC2CCC1C2
InChIInChI=1S/C10H17FO/c1-7(6-11)12-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3
InChIKeyCOXGCVOQNRNGFZ-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.55
Rot. Bonds3

About 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane

2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane (PubChem CID 58841758) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane
PubChem CID58841758
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane
SMILESCC(CF)OC1CC2CCC1C2
InChIInChI=1S/C10H17FO/c1-7(6-11)12-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3
InChIKeyCOXGCVOQNRNGFZ-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(2.2.1)heptane, 2-methoxy-, endo-
CID 139142
Mercury, chloro(3-methoxybicyclo(2.2.1)hept-2-yl)-
CID 3039054
(1R,2S,4S)-2-methoxybicyclo[2.2.1]heptane
CID 12504771
2-Butoxybicyclo(2,2,1)heptane
CID 54376525
Exo-2-(2-methylpropoxy)bicyclo[2.2.1]heptane
CID 76640935
Exo-2-(propoxy)bicyclo[2.2.1]heptane
CID 89305037
7-Norbornyl t-butyl ether
CID 137916
(1S,2R,3R,4R)-2-fluoro-3-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
CID 10703737
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctoxy)bicyclo[2.2.1]heptane
CID 73106667
2-(2,2,2-Trifluoroethoxy)bicyclo[2.2.1]heptane
CID 85195159
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxy)bicyclo[2.2.1]heptane
CID 102095187
2-Bicyclo[2.2.1]heptanyl 2-fluoro-2-methylbutanoate
CID 21063664

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane (CID 58841758) is 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane is CC(CF)OC1CC2CCC1C2.
What is the InChIKey of 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane?
The InChIKey is COXGCVOQNRNGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-7(6-11)12-10-5-8-2-3-9(10)4-8/h7-10H,2-6H2,1H3.
What are the key properties of 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane?
2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane has a molecular weight of 172.24 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropan-2-yloxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58841758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).