(1,1-difluoro-2-methylpropoxy)methylcyclopentane

C10H18F2O — CID 58422627

IUPAC(1,1-difluoro-2-methylpropoxy)methylcyclopentane
SMILESCC(C)C(F)(F)OCC1CCCC1
InChIInChI=1S/C10H18F2O/c1-8(2)10(11,12)13-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPEHBUZODMBDFML-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.44
Rot. Bonds4

About (1,1-difluoro-2-methylpropoxy)methylcyclopentane

(1,1-difluoro-2-methylpropoxy)methylcyclopentane (PubChem CID 58422627) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (1,1-difluoro-2-methylpropoxy)methylcyclopentane.

Molecular Properties

Compound Name(1,1-difluoro-2-methylpropoxy)methylcyclopentane
PubChem CID58422627
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(1,1-difluoro-2-methylpropoxy)methylcyclopentane
SMILESCC(C)C(F)(F)OCC1CCCC1
InChIInChI=1S/C10H18F2O/c1-8(2)10(11,12)13-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3
InChIKeyPEHBUZODMBDFML-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[Ethoxy(difluoro)methyl]cyclopentane
CID 18725580
1-[Difluoro(methoxy)methyl]-3-methylcyclopentane
CID 18731747
[Difluoro(methoxy)methyl]cyclopentane
CID 20698411
1-(1,1-Difluoro-2-methylbutoxy)hexane
CID 20823309
1-(3,3,3-Trifluoro-2-methylpropoxy)hexane
CID 22002831
1-[2-(Trifluoromethyl)butoxy]hexane
CID 22002832
1-Ethoxy-1,1,2,2,3,4,4,5,5-nonafluoro-3-(trifluoromethyl)hexane
CID 22088870
1-(1,1-Difluoro-2-methylpropoxy)-4-methylpentane
CID 58422609
6-Ethoxy-1,1,1-trifluoro-2-methanidylhexane;rutherfordium
CID 58766550
6-Ethoxy-1,1,1-trifluoro-2-methylhexane
CID 58766551
1-Ethyl-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]cyclopentane
CID 58813222
1-Ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
CID 58813231

Frequently Asked Questions

What is the IUPAC name of (1,1-difluoro-2-methylpropoxy)methylcyclopentane?
The IUPAC name of (1,1-difluoro-2-methylpropoxy)methylcyclopentane (CID 58422627) is (1,1-difluoro-2-methylpropoxy)methylcyclopentane.
What is the SMILES notation for (1,1-difluoro-2-methylpropoxy)methylcyclopentane?
The canonical SMILES for (1,1-difluoro-2-methylpropoxy)methylcyclopentane is CC(C)C(F)(F)OCC1CCCC1.
What is the InChIKey of (1,1-difluoro-2-methylpropoxy)methylcyclopentane?
The InChIKey is PEHBUZODMBDFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O/c1-8(2)10(11,12)13-7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3.
What are the key properties of (1,1-difluoro-2-methylpropoxy)methylcyclopentane?
(1,1-difluoro-2-methylpropoxy)methylcyclopentane has a molecular weight of 192.25 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-difluoro-2-methylpropoxy)methylcyclopentane is sourced from PubChem (CID 58422627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).