4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane

C19H29F5O — CID 71162029

IUPAC4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane
SMILESFC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2F)CC1F
InChIInChI=1S/C19H29F5O/c20-16-9-7-14(11-18(16)22)25-19(23,24)15-8-6-13(10-17(15)21)12-4-2-1-3-5-12/h12-18H,1-11H2
InChIKeyXZKBWZBUFPFMFQ-UHFFFAOYSA-N
MW368.43 g/mol
LogP6.16
Rot. Bonds4

About 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane

4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane (PubChem CID 71162029) has the molecular formula C19H29F5O and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane.

Molecular Properties

Compound Name4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane
PubChem CID71162029
Molecular FormulaC19H29F5O
Molecular Weight368.43 g/mol
Exact Mass368.21
IUPAC Name4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane
SMILESFC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2F)CC1F
InChIInChI=1S/C19H29F5O/c20-16-9-7-14(11-18(16)22)25-19(23,24)15-8-6-13(10-17(15)21)12-4-2-1-3-5-12/h12-18H,1-11H2
InChIKeyXZKBWZBUFPFMFQ-UHFFFAOYSA-N
XLogP6.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.43
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane?
The IUPAC name of 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane (CID 71162029) is 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane.
What is the SMILES notation for 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane?
The canonical SMILES for 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane is FC1CCC(OC(F)(F)C2CCC(C3CCCCC3)CC2F)CC1F.
What is the InChIKey of 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane?
The InChIKey is XZKBWZBUFPFMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F5O/c20-16-9-7-14(11-18(16)22)25-19(23,24)15-8-6-13(10-17(15)21)12-4-2-1-3-5-12/h12-18H,1-11H2.
What are the key properties of 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane?
4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane has a molecular weight of 368.43 g/mol, XLogP of 6.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-[(3,4-difluorocyclohexyl)oxy-difluoromethyl]-2-fluorocyclohexane is sourced from PubChem (CID 71162029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).