1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride

C9H20F2 — CID 145431694

IUPAC1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride
SMILESC.CC(C)CC1(CF)CC1.F
InChIInChI=1S/C8H15F.CH4.FH/c1-7(2)5-8(6-9)3-4-8;;/h7H,3-6H2,1-2H3;1H4;1H
InChIKeyBSWAUUVPKUBKQF-UHFFFAOYSA-N
MW166.25 g/mol
LogP3.57
Rot. Bonds3

About 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride

1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride (PubChem CID 145431694) has the molecular formula C9H20F2 and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride.

Molecular Properties

Compound Name1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride
PubChem CID145431694
Molecular FormulaC9H20F2
Molecular Weight166.25 g/mol
Exact Mass166.15
IUPAC Name1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride
SMILESC.CC(C)CC1(CF)CC1.F
InChIInChI=1S/C8H15F.CH4.FH/c1-7(2)5-8(6-9)3-4-8;;/h7H,3-6H2,1-2H3;1H4;1H
InChIKeyBSWAUUVPKUBKQF-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-bis(fluoromethyl)cyclopropane
CID 90891760
2-[1-(2-methylpropyl)cyclopropyl]ethanamine
CID 82418022
4-ethyl-4-(2-methylpropyl)oxane
CID 58432614
4-(chloromethyl)-4-(2-methylpropyl)oxane
CID 66034418
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxan-4-amine
CID 115690960
1-(chloromethyl)-1-(fluoromethyl)cyclopropane
CID 22602666
N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-2-amine
CID 62905553
3,3-bis(fluoromethyl)-1-propan-2-ylcyclobutan-1-ol
CID 129296138
1,1-bis(fluoromethyl)-3-methyl-3-propan-2-ylcyclobutane
CID 138611872
N-[[1-(2-methylpropyl)cyclopropyl]methyl]oxolan-3-amine
CID 115690956
1,1-difluoro-N-[[1-(2-methylpropyl)cyclopentyl]methyl]propan-2-amine
CID 102869767
2-[4-(2-methylpropyl)oxan-4-yl]acetic acid
CID 83819264

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride?
The IUPAC name of 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride (CID 145431694) is 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride.
What is the SMILES notation for 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride?
The canonical SMILES for 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride is C.CC(C)CC1(CF)CC1.F.
What is the InChIKey of 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride?
The InChIKey is BSWAUUVPKUBKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F.CH4.FH/c1-7(2)5-8(6-9)3-4-8;;/h7H,3-6H2,1-2H3;1H4;1H.
What are the key properties of 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride?
1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride has a molecular weight of 166.25 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-(2-methylpropyl)cyclopropane;methane;hydrofluoride is sourced from PubChem (CID 145431694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).