1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane

C10H17F3 — CID 163832162

IUPAC1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane
SMILESCC1CC(C)C(CCC(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-7-5-8(2)9(6-7)3-4-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyOENWMVMQDNETHI-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.01
Rot. Bonds2

About 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane

1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane (PubChem CID 163832162) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane.

Molecular Properties

Compound Name1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane
PubChem CID163832162
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane
SMILESCC1CC(C)C(CCC(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-7-5-8(2)9(6-7)3-4-10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyOENWMVMQDNETHI-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-propylcyclopentane;ethane
CID 155717345
5-methyl-2-(3,3,3-trifluoropropyl)cyclohexan-1-ol
CID 102202372
1,4-dimethyl-2-[2-(2,3,4-trimethylcyclobutyl)ethyl]cyclopentane
CID 143346694
trans-(1R,2S)-1-methyl-2-[2-[(1R,2S)-2-methylcyclopropyl]ethyl]cyclopropane
CID 23638911
(2,4-dimethylcyclopentyl)methanamine
CID 134314260
1-methyl-3-(4,4,4-trifluorobutyl)cyclohexane
CID 169209459
2-methyl-3-(3,3,3-trifluoropropyl)-1,4-dioxane
CID 59741575
(1R,2S,4R)-2,4-dimethylcyclopentan-1-amine
CID 134253027
1,4-dimethyl-2-(2-methylprop-2-enyl)cyclopentane
CID 123213374
1-propyl-3,5-bis(3,3,3-trifluoropropyl)cyclohexane
CID 163290396
3,3,3-trifluoropropylcyclooctane
CID 153173633
1,2,5-trimethyl-3-[(2,3,5-trimethylcyclohexyl)methyl]cyclohexane
CID 15751895

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane?
The IUPAC name of 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane (CID 163832162) is 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane.
What is the SMILES notation for 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane?
The canonical SMILES for 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane is CC1CC(C)C(CCC(F)(F)F)C1.
What is the InChIKey of 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane?
The InChIKey is OENWMVMQDNETHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-7-5-8(2)9(6-7)3-4-10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane?
1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane has a molecular weight of 194.24 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(3,3,3-trifluoropropyl)cyclopentane is sourced from PubChem (CID 163832162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).