1-[difluoro(propoxy)methyl]-4-fluorocyclohexane

C10H17F3O — CID 21052142

IUPAC1-[difluoro(propoxy)methyl]-4-fluorocyclohexane
SMILESCCCOC(F)(F)C1CCC(F)CC1
InChIInChI=1S/C10H17F3O/c1-2-7-14-10(12,13)8-3-5-9(11)6-4-8/h8-9H,2-7H2,1H3
InChIKeyDEPFTJUHGOFROH-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.53
Rot. Bonds4

About 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane

1-[difluoro(propoxy)methyl]-4-fluorocyclohexane (PubChem CID 21052142) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane.

Molecular Properties

Compound Name1-[difluoro(propoxy)methyl]-4-fluorocyclohexane
PubChem CID21052142
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-[difluoro(propoxy)methyl]-4-fluorocyclohexane
SMILESCCCOC(F)(F)C1CCC(F)CC1
InChIInChI=1S/C10H17F3O/c1-2-7-14-10(12,13)8-3-5-9(11)6-4-8/h8-9H,2-7H2,1H3
InChIKeyDEPFTJUHGOFROH-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
[Difluoro(methoxy)methyl]cyclohexane
CID 14491590
Methoxymethylcyclohexane
CID 6432218
2,2,2-Trifluoroethoxymethylcyclohexane
CID 14970149
3-[Chloro(difluoro)methoxy]propylcyclohexane
CID 101863779
3-[Cyclohexyl(difluoro)methoxy]propyl-trimethylsilane
CID 176426574
[Cyclopropylmethoxy(difluoro)methyl]cyclohexane
CID 176426576
[Cyclobutylmethoxy(difluoro)methyl]cyclohexane
CID 176426578
(2-(Pentyloxy)ethyl)cyclohexane
CID 41212
1-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638554
cis-(1R,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638556
trans-(1S,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638557

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane?
The IUPAC name of 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane (CID 21052142) is 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane.
What is the SMILES notation for 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane?
The canonical SMILES for 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane is CCCOC(F)(F)C1CCC(F)CC1.
What is the InChIKey of 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane?
The InChIKey is DEPFTJUHGOFROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-2-7-14-10(12,13)8-3-5-9(11)6-4-8/h8-9H,2-7H2,1H3.
What are the key properties of 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane?
1-[difluoro(propoxy)methyl]-4-fluorocyclohexane has a molecular weight of 210.24 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(propoxy)methyl]-4-fluorocyclohexane is sourced from PubChem (CID 21052142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).