1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane

C10H18F2O — CID 118102424

IUPAC1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane
SMILESCOC1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C10H18F2O/c1-8(2)9(13-3)4-6-10(11,12)7-5-9/h8H,4-7H2,1-3H3
InChIKeyZPQZTARJUBBYFC-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.24
Rot. Bonds2

About 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane

1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane (PubChem CID 118102424) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane
PubChem CID118102424
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane
SMILESCOC1(C(C)C)CCC(F)(F)CC1
InChIInChI=1S/C10H18F2O/c1-8(2)9(13-3)4-6-10(11,12)7-5-9/h8H,4-7H2,1-3H3
InChIKeyZPQZTARJUBBYFC-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
1-(1-Methoxy-1-methylethyl)cyclohexane
CID 3016984
1-[Difluoro(methoxy)methyl]-3-(fluoromethyl)-5-methylcyclohexane
CID 18725562
1-[Difluoro(methoxy)methyl]-3-methylcyclohexane
CID 18725563
(1-Ethoxy-1,1,2,3,3,3-hexafluoropropan-2-yl)cyclohexane
CID 18725566
1-Fluoro-1-(2-methoxypropan-2-yl)cyclohexane
CID 19850337
1-[Difluoro(methoxy)methyl]-4-pentylcyclohexane
CID 20705628
1-[Difluoro(methoxy)methyl]-4-propylcyclohexane
CID 20705630
1-[Difluoro(methoxy)methyl]-4-heptylcyclohexane
CID 58719065
[1,1,1,3,3,3-Hexafluoro-2-(2-methylbutoxy)propan-2-yl]cyclohexane
CID 58969682
(2-Ethenoxy-1,1,1-trifluoropropan-2-yl)cyclohexane
CID 69665675
1alpha-Isopropyl-4alpha-(trifluoromethoxy)cyclohexane
CID 86236765

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane?
The IUPAC name of 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane (CID 118102424) is 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane.
What is the SMILES notation for 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane?
The canonical SMILES for 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane is COC1(C(C)C)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane?
The InChIKey is ZPQZTARJUBBYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-8(2)9(13-3)4-6-10(11,12)7-5-9/h8H,4-7H2,1-3H3.
What are the key properties of 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane?
1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane has a molecular weight of 192.25 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-4-propan-2-ylcyclohexane is sourced from PubChem (CID 118102424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).