[1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane

C12H20ClF3O — CID 112570475

IUPAC[1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane
SMILESFC(F)(F)COCCCC(CCl)C1CCCC1
InChIInChI=1S/C12H20ClF3O/c13-8-11(10-4-1-2-5-10)6-3-7-17-9-12(14,15)16/h10-11H,1-9H2
InChIKeyOIATZJRYVOGSBV-UHFFFAOYSA-N
MW272.74 g/mol
LogP4.39
Rot. Bonds7

About [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane

[1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane (PubChem CID 112570475) has the molecular formula C12H20ClF3O and a molecular weight of 272.74 g/mol. Its IUPAC name is [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane
PubChem CID112570475
Molecular FormulaC12H20ClF3O
Molecular Weight272.74 g/mol
Exact Mass272.12
IUPAC Name[1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane
SMILESFC(F)(F)COCCCC(CCl)C1CCCC1
InChIInChI=1S/C12H20ClF3O/c13-8-11(10-4-1-2-5-10)6-3-7-17-9-12(14,15)16/h10-11H,1-9H2
InChIKeyOIATZJRYVOGSBV-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-Chloro-6-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 61732263
1-Chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptane
CID 61732480
1-Chloro-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptane
CID 61732681
1-Chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
CID 61734701
1-Chloro-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 61735097
4-(1-Chloroethyl)-5-methyl-1-(2,2,2-trifluoroethoxy)hexane
CID 62915341
[1-Chloro-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropane
CID 63358356
5-Chloro-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 63560127
1-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptane
CID 64507072
[1-Chloro-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane
CID 64507324
6-Chloro-7-methyl-1-(2,2,2-trifluoroethoxy)octane
CID 64509560
1-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 64515673

Frequently Asked Questions

What is the IUPAC name of [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane?
The IUPAC name of [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane (CID 112570475) is [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane.
What is the SMILES notation for [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane?
The canonical SMILES for [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane is FC(F)(F)COCCCC(CCl)C1CCCC1.
What is the InChIKey of [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane?
The InChIKey is OIATZJRYVOGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClF3O/c13-8-11(10-4-1-2-5-10)6-3-7-17-9-12(14,15)16/h10-11H,1-9H2.
What are the key properties of [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane?
[1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane has a molecular weight of 272.74 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclopentane is sourced from PubChem (CID 112570475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).