1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane

C18H30F4O — CID 118971036

IUPAC1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane
SMILESCCCOC1CCC(C2CCC(C(F)(F)CC)CC2)C(F)C1F
InChIInChI=1S/C18H30F4O/c1-3-11-23-15-10-9-14(16(19)17(15)20)12-5-7-13(8-6-12)18(21,22)4-2/h12-17H,3-11H2,1-2H3
InChIKeyLNBLAKZFYKOXOV-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.72
Rot. Bonds6

About 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane

1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane (PubChem CID 118971036) has the molecular formula C18H30F4O and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane.

Molecular Properties

Compound Name1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane
PubChem CID118971036
Molecular FormulaC18H30F4O
Molecular Weight338.43 g/mol
Exact Mass338.22
IUPAC Name1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane
SMILESCCCOC1CCC(C2CCC(C(F)(F)CC)CC2)C(F)C1F
InChIInChI=1S/C18H30F4O/c1-3-11-23-15-10-9-14(16(19)17(15)20)12-5-7-13(8-6-12)18(21,22)4-2/h12-17H,3-11H2,1-2H3
InChIKeyLNBLAKZFYKOXOV-UHFFFAOYSA-N
XLogP5.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]-4-propoxycyclohexane
CID 118592218
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxycyclohexyl)cyclohexane
CID 118181664
1-butoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexane
CID 140626220
2,3-difluoro-1-(3-fluoro-4-propoxycyclohexyl)-4-methoxycyclohexane
CID 118181680
2,3-difluoro-1-(3-fluoro-4-prop-2-enoxycyclohexyl)-4-propoxycyclohexane
CID 118181731
1-(4-butylcyclohexyl)-4-ethoxy-2,3-difluorocyclohexane
CID 140565841
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-pentoxycyclohexyl)cyclohexane
CID 118181725
1-ethoxy-2,3-difluoro-4-[3-fluoro-4-(4-methylcyclohexyl)cyclohexyl]cyclohexane
CID 118592236
(1S,2R,5R)-2-propoxy-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820430
1-(4-butoxycyclohexyl)-2,3-difluoro-4-[[4-[(1S)-2-fluoro-4-methylcyclohexyl]cyclohexyl]methoxy]cyclohexane
CID 90437547
(2,3-difluoro-4-propoxycyclohexyl)-[4-[4-(2,2-difluoropropyl)cyclohexyl]cyclohexyl]methanol
CID 140707005
1-(4-ethoxy-3-fluorocyclohexyl)-2,3-difluoro-4-methoxycyclohexane
CID 118181702

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane?
The IUPAC name of 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane (CID 118971036) is 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane.
What is the SMILES notation for 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane?
The canonical SMILES for 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane is CCCOC1CCC(C2CCC(C(F)(F)CC)CC2)C(F)C1F.
What is the InChIKey of 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane?
The InChIKey is LNBLAKZFYKOXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30F4O/c1-3-11-23-15-10-9-14(16(19)17(15)20)12-5-7-13(8-6-12)18(21,22)4-2/h12-17H,3-11H2,1-2H3.
What are the key properties of 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane?
1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane has a molecular weight of 338.43 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,1-difluoropropyl)cyclohexyl]-2,3-difluoro-4-propoxycyclohexane is sourced from PubChem (CID 118971036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).