1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane

C19H30F4O — CID 71162028

IUPAC1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane
SMILESFC1CCC(OC(F)(F)C2CCC(C3CCCCC3F)CC2)CC1
InChIInChI=1S/C19H30F4O/c20-15-9-11-16(12-10-15)24-19(22,23)14-7-5-13(6-8-14)17-3-1-2-4-18(17)21/h13-18H,1-12H2
InChIKeyXJWLZRAXLSRXGO-UHFFFAOYSA-N
MW350.44 g/mol
LogP6.21
Rot. Bonds4

About 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane

1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane (PubChem CID 71162028) has the molecular formula C19H30F4O and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane.

Molecular Properties

Compound Name1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane
PubChem CID71162028
Molecular FormulaC19H30F4O
Molecular Weight350.44 g/mol
Exact Mass350.22
IUPAC Name1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane
SMILESFC1CCC(OC(F)(F)C2CCC(C3CCCCC3F)CC2)CC1
InChIInChI=1S/C19H30F4O/c20-15-9-11-16(12-10-15)24-19(22,23)14-7-5-13(6-8-14)17-3-1-2-4-18(17)21/h13-18H,1-12H2
InChIKeyXJWLZRAXLSRXGO-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane?
The IUPAC name of 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane (CID 71162028) is 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane.
What is the SMILES notation for 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane?
The canonical SMILES for 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane is FC1CCC(OC(F)(F)C2CCC(C3CCCCC3F)CC2)CC1.
What is the InChIKey of 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane?
The InChIKey is XJWLZRAXLSRXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F4O/c20-15-9-11-16(12-10-15)24-19(22,23)14-7-5-13(6-8-14)17-3-1-2-4-18(17)21/h13-18H,1-12H2.
What are the key properties of 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane?
1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane has a molecular weight of 350.44 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro-[4-(2-fluorocyclohexyl)cyclohexyl]methoxy]-4-fluorocyclohexane is sourced from PubChem (CID 71162028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).