1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane

C9H11F5O — CID 58107105

IUPAC1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane
SMILESCOCC1(F)C2(F)CCC(F)(C2)C1(F)F
InChIInChI=1S/C9H11F5O/c1-15-5-8(12)6(10)2-3-7(11,4-6)9(8,13)14/h2-5H2,1H3
InChIKeyURFCQZWCQQAKLY-UHFFFAOYSA-N
MW230.18 g/mol
LogP2.59
Rot. Bonds2

About 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane

1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane (PubChem CID 58107105) has the molecular formula C9H11F5O and a molecular weight of 230.18 g/mol. Its IUPAC name is 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane
PubChem CID58107105
Molecular FormulaC9H11F5O
Molecular Weight230.18 g/mol
Exact Mass230.07
IUPAC Name1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane
SMILESCOCC1(F)C2(F)CCC(F)(C2)C1(F)F
InChIInChI=1S/C9H11F5O/c1-15-5-8(12)6(10)2-3-7(11,4-6)9(8,13)14/h2-5H2,1H3
InChIKeyURFCQZWCQQAKLY-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.18
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane (CID 58107105) is 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane is COCC1(F)C2(F)CCC(F)(C2)C1(F)F.
What is the InChIKey of 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane?
The InChIKey is URFCQZWCQQAKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5O/c1-15-5-8(12)6(10)2-3-7(11,4-6)9(8,13)14/h2-5H2,1H3.
What are the key properties of 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane?
1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane has a molecular weight of 230.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,4-pentafluoro-3-(methoxymethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58107105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).