4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane

C10H14F4 — CID 175202210

IUPAC4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane
SMILESFC1CCC(C2CC(F)C2F)CC1F
InChIInChI=1S/C10H14F4/c11-7-2-1-5(3-8(7)12)6-4-9(13)10(6)14/h5-10H,1-4H2
InChIKeyMLWYGDBLLUQQDY-UHFFFAOYSA-N
MW210.21 g/mol
LogP3.16
Rot. Bonds1

About 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane

4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane (PubChem CID 175202210) has the molecular formula C10H14F4 and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane.

Molecular Properties

Compound Name4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane
PubChem CID175202210
Molecular FormulaC10H14F4
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane
SMILESFC1CCC(C2CC(F)C2F)CC1F
InChIInChI=1S/C10H14F4/c11-7-2-1-5(3-8(7)12)6-4-9(13)10(6)14/h5-10H,1-4H2
InChIKeyMLWYGDBLLUQQDY-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane?
The IUPAC name of 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane (CID 175202210) is 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane.
What is the SMILES notation for 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane?
The canonical SMILES for 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane is FC1CCC(C2CC(F)C2F)CC1F.
What is the InChIKey of 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane?
The InChIKey is MLWYGDBLLUQQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4/c11-7-2-1-5(3-8(7)12)6-4-9(13)10(6)14/h5-10H,1-4H2.
What are the key properties of 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane?
4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane has a molecular weight of 210.21 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorocyclobutyl)-1,2-difluorocyclohexane is sourced from PubChem (CID 175202210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).