cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane

C7H13F — CID 153486218

IUPACcis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
SMILESCC(C)[C@@H]1CC[C@@H]1F
InChIInChI=1S/C7H13F/c1-5(2)6-3-4-7(6)8/h5-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyMQTQHIGSOOXLDW-BQBZGAKWSA-N
MW116.18 g/mol
LogP2.39
Rot. Bonds1

About cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane

cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane (PubChem CID 153486218) has the molecular formula C7H13F and a molecular weight of 116.18 g/mol. Its IUPAC name is cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane.

Molecular Properties

Compound Namecis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
PubChem CID153486218
Molecular FormulaC7H13F
Molecular Weight116.18 g/mol
Exact Mass116.10
IUPAC Namecis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane
SMILESCC(C)[C@@H]1CC[C@@H]1F
InChIInChI=1S/C7H13F/c1-5(2)6-3-4-7(6)8/h5-7H,3-4H2,1-2H3/t6-,7-/m0/s1
InChIKeyMQTQHIGSOOXLDW-BQBZGAKWSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(1S,2R)-1-fluoro-2-propan-2-ylcyclopentane
CID 167274571
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
(3R,4R)-3-fluoro-4-propan-2-ylpiperidine
CID 168979168
(3S,4S)-3-fluoro-1-methyliodanuidyl-4-propan-2-ylpiperidine
CID 176934951
(3S,4S)-3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 137457619
1,2-difluoro-3-propan-2-ylcyclohexane
CID 140573475
ethane;3-fluoro-1-methyl-4-propan-2-ylpiperidine
CID 177155848
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
(3S,4R)-1-tert-butyl-3-fluoro-4-propan-2-ylpiperidine
CID 177072817
3-fluoro-4-propan-2-ylpiperidine-1-carbonitrile
CID 171505818
1-chloro-2-propan-2-ylcyclobutane
CID 174662999
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane?
The IUPAC name of cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane (CID 153486218) is cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane.
What is the SMILES notation for cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane?
The canonical SMILES for cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane is CC(C)[C@@H]1CC[C@@H]1F.
What is the InChIKey of cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane?
The InChIKey is MQTQHIGSOOXLDW-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H13F/c1-5(2)6-3-4-7(6)8/h5-7H,3-4H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane?
cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane has a molecular weight of 116.18 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-fluoro-2-propan-2-ylcyclobutane is sourced from PubChem (CID 153486218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).