ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane

C14H29F — CID 176704387

IUPACethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane
SMILESCC.CC(C)CC1(CC(C)C)CC1(C)F
InChIInChI=1S/C12H23F.C2H6/c1-9(2)6-12(7-10(3)4)8-11(12,5)13;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyRHXAGJJOEXTOPF-UHFFFAOYSA-N
MW216.38 g/mol
LogP5.22
Rot. Bonds4

About ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane

ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane (PubChem CID 176704387) has the molecular formula C14H29F and a molecular weight of 216.38 g/mol. Its IUPAC name is ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane.

Molecular Properties

Compound Nameethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane
PubChem CID176704387
Molecular FormulaC14H29F
Molecular Weight216.38 g/mol
Exact Mass216.23
IUPAC Nameethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane
SMILESCC.CC(C)CC1(CC(C)C)CC1(C)F
InChIInChI=1S/C12H23F.C2H6/c1-9(2)6-12(7-10(3)4)8-11(12,5)13;1-2/h9-10H,6-8H2,1-5H3;1-2H3
InChIKeyRHXAGJJOEXTOPF-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.38
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-3-methyl-3-(2-methylpropyl)cyclobutane
CID 177300443
1,1-difluoro-2-(2-methylpropyl)-2-propylcyclopropane
CID 170411670
1-[2,2-difluoro-1-(2-methylpropyl)cyclopropyl]-N,N-dimethylmethanamine
CID 170222804
1,1,2-trimethyl-2-(2-methylpropyl)cyclopropane
CID 123147679
1-(bromomethyl)-2,2-dimethyl-1-(2-methylbutyl)cyclopropane
CID 165442992
3,3-difluoro-1-(2-methylpropyl)cyclobutane-1-carboxylic acid
CID 115018921
1,1,2,2,3,3,4,4,5,5,6-undecafluoro-6-(2-methylpropyl)cyclohexane
CID 59386457
4-methyl-4-(2-methylpropyl)piperidine
CID 63156339
1-methyl-4-(2-methylpropyl)-2,3,5,6-tetraoxabicyclo[2.2.1]heptane
CID 71653979
1,1,4-trimethyl-4-(2-methylpropyl)cyclohexane
CID 158706350
1-(2-methylpropyl)bicyclo[1.1.0]butane
CID 90914425
2-methyl-2-(2-methylpropyl)-1,3-diazinane
CID 86188773

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane?
The IUPAC name of ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane (CID 176704387) is ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane.
What is the SMILES notation for ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane?
The canonical SMILES for ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane is CC.CC(C)CC1(CC(C)C)CC1(C)F.
What is the InChIKey of ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane?
The InChIKey is RHXAGJJOEXTOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F.C2H6/c1-9(2)6-12(7-10(3)4)8-11(12,5)13;1-2/h9-10H,6-8H2,1-5H3;1-2H3.
What are the key properties of ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane?
ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane has a molecular weight of 216.38 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-1-methyl-2,2-bis(2-methylpropyl)cyclopropane is sourced from PubChem (CID 176704387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).