1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane

C14H30F2O — CID 159605123

IUPAC1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane
SMILESC.C.CCCC1(F)CC1.CCCC1(F)COC1
InChIInChI=1S/C6H11FO.C6H11F.2CH4/c1-2-3-6(7)4-8-5-6;1-2-3-6(7)4-5-6;;/h2-5H2,1H3;2-5H2,1H3;2*1H4
InChIKeyMLZFRFNGRNCQRI-UHFFFAOYSA-N
MW252.39 g/mol
LogP5.09
Rot. Bonds4

About 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane

1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane (PubChem CID 159605123) has the molecular formula C14H30F2O and a molecular weight of 252.39 g/mol. Its IUPAC name is 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane.

Molecular Properties

Compound Name1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane
PubChem CID159605123
Molecular FormulaC14H30F2O
Molecular Weight252.39 g/mol
Exact Mass252.23
IUPAC Name1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane
SMILESC.C.CCCC1(F)CC1.CCCC1(F)COC1
InChIInChI=1S/C6H11FO.C6H11F.2CH4/c1-2-3-6(7)4-8-5-6;1-2-3-6(7)4-5-6;;/h2-5H2,1H3;2-5H2,1H3;2*1H4
InChIKeyMLZFRFNGRNCQRI-UHFFFAOYSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.39
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-[(3-fluorooxetan-3-yl)methyl]ethanamine
CID 169266137
N-[(3-fluorooxetan-3-yl)methyl]-N-methylpropan-2-amine
CID 121357704
3-fluoro-3-propylpiperidine
CID 83815245
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
1,3-difluoro-1-propylcyclohexane
CID 54151474
ethane;trans-(1S,3R)-1-fluoro-3-methyl-1-propylcyclohexane
CID 145106735
1-fluoro-4-propylbicyclo[2.2.2]octane
CID 70295517
3-(1-bromoethyl)-3-propyloxetane
CID 66885643
3-(1-bromopropyl)-3-propyloxetane
CID 66885705
(3-propyloxetan-3-yl)methyl methanesulfonate
CID 19373423
3-fluoro-N-methyloxetan-3-amine
CID 67318981
ethane;4-fluoro-1-(piperidin-4-ylmethyl)-4-propylpiperidine
CID 165138084

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane?
The IUPAC name of 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane (CID 159605123) is 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane.
What is the SMILES notation for 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane?
The canonical SMILES for 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane is C.C.CCCC1(F)CC1.CCCC1(F)COC1.
What is the InChIKey of 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane?
The InChIKey is MLZFRFNGRNCQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO.C6H11F.2CH4/c1-2-3-6(7)4-8-5-6;1-2-3-6(7)4-5-6;;/h2-5H2,1H3;2-5H2,1H3;2*1H4.
What are the key properties of 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane?
1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane has a molecular weight of 252.39 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-propylcyclopropane;3-fluoro-3-propyloxetane;methane is sourced from PubChem (CID 159605123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).