(3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane

C10H18F2O — CID 169182125

IUPAC(3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC(COC(F)F)C1
InChIInChI=1S/C10H18F2O/c1-7(2)9-4-3-8(5-9)6-13-10(11)12/h7-10H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyXONHSNABHJVCPY-YGPZHTELSA-N
MW192.25 g/mol
LogP3.30
Rot. Bonds4

About (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane

(3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane (PubChem CID 169182125) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Name(3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane
PubChem CID169182125
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane
SMILESCC(C)[C@@H]1CCC(COC(F)F)C1
InChIInChI=1S/C10H18F2O/c1-7(2)9-4-3-8(5-9)6-13-10(11)12/h7-10H,3-6H2,1-2H3/t8?,9-/m1/s1
InChIKeyXONHSNABHJVCPY-YGPZHTELSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1,1-Difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
CID 58425859
1-(3-Propylcyclopentyl)-4-(trifluoromethoxy)cyclohexane
CID 58555704
4-Ethyl-1-hexyl-2-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 58813219
1-Ethyl-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]cyclopentane
CID 58813222
4-Ethyl-1-octyl-2-(3,3,4,4,4-pentafluorobutoxymethyl)cyclopentane
CID 58813226
1-Ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
CID 58813231
1-Ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 58813248
1-(2-Methylpentan-3-yl)-3-(trifluoromethoxy)cyclopentane
CID 132048634
(2S)-3-(difluoromethyl)-8-fluoro-1-methoxy-2-methyloctane
CID 137390713
1,1-Difluoro-3-[2-(2-methylpropoxy)ethyl]cyclopentane
CID 139495077
2-(2,2,2-Trifluoroethoxy)propan-2-ylcyclopentane
CID 148832596
1,1,1-Trifluoro-4-(2-methoxyethyl)undecane
CID 150040404

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
The IUPAC name of (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane (CID 169182125) is (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane.
What is the SMILES notation for (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
The canonical SMILES for (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane is CC(C)[C@@H]1CCC(COC(F)F)C1.
What is the InChIKey of (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
The InChIKey is XONHSNABHJVCPY-YGPZHTELSA-N. The full InChI is InChI=1S/C10H18F2O/c1-7(2)9-4-3-8(5-9)6-13-10(11)12/h7-10H,3-6H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane?
(3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane has a molecular weight of 192.25 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(difluoromethoxymethyl)-3-propan-2-ylcyclopentane is sourced from PubChem (CID 169182125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).