cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane

C33H62F2 — CID 158620081

IUPACcyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane
SMILESC1CC1C1CC1.C1CCCC1.CC1(C)CCCCC1.CC1CC1.CC1CCC1.FC1(F)CCCC1
InChIInChI=1S/C8H16.C6H10.C5H8F2.2C5H10.C4H8/c1-8(2)6-4-3-5-7-8;1-2-5(1)6-3-4-6;6-5(7)3-1-2-4-5;1-5-3-2-4-5;1-2-4-5-3-1;1-4-2-3-4/h3-7H2,1-2H3;5-6H,1-4H2;1-4H2;5H,2-4H2,1H3;1-5H2;4H,2-3H2,1H3
InChIKeyHXWQFOSGTFOVEP-UHFFFAOYSA-N
MW496.86 g/mol
LogP12.15
Rot. Bonds1

About cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane

cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane (PubChem CID 158620081) has the molecular formula C33H62F2 and a molecular weight of 496.86 g/mol. Its IUPAC name is cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane.

Molecular Properties

Compound Namecyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane
PubChem CID158620081
Molecular FormulaC33H62F2
Molecular Weight496.86 g/mol
Exact Mass496.48
IUPAC Namecyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane
SMILESC1CC1C1CC1.C1CCCC1.CC1(C)CCCCC1.CC1CC1.CC1CCC1.FC1(F)CCCC1
InChIInChI=1S/C8H16.C6H10.C5H8F2.2C5H10.C4H8/c1-8(2)6-4-3-5-7-8;1-2-5(1)6-3-4-6;6-5(7)3-1-2-4-5;1-5-3-2-4-5;1-2-4-5-3-1;1-4-2-3-4/h3-7H2,1-2H3;5-6H,1-4H2;1-4H2;5H,2-4H2,1H3;1-5H2;4H,2-3H2,1H3
InChIKeyHXWQFOSGTFOVEP-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.86
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane?
The IUPAC name of cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane (CID 158620081) is cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane.
What is the SMILES notation for cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane?
The canonical SMILES for cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane is C1CC1C1CC1.C1CCCC1.CC1(C)CCCCC1.CC1CC1.CC1CCC1.FC1(F)CCCC1.
What is the InChIKey of cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane?
The InChIKey is HXWQFOSGTFOVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.C6H10.C5H8F2.2C5H10.C4H8/c1-8(2)6-4-3-5-7-8;1-2-5(1)6-3-4-6;6-5(7)3-1-2-4-5;1-5-3-2-4-5;1-2-4-5-3-1;1-4-2-3-4/h3-7H2,1-2H3;5-6H,1-4H2;1-4H2;5H,2-4H2,1H3;1-5H2;4H,2-3H2,1H3.
What are the key properties of cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane?
cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane has a molecular weight of 496.86 g/mol, XLogP of 12.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentane;cyclopropylcyclopropane;1,1-difluorocyclopentane;1,1-dimethylcyclohexane;methylcyclobutane;methylcyclopropane is sourced from PubChem (CID 158620081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).