cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine

C8H16FNO — CID 174340922

IUPACcis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine
SMILESCN[C@H]1CC[C@H]1OCC(C)F
InChIInChI=1S/C8H16FNO/c1-6(9)5-11-8-4-3-7(8)10-2/h6-8,10H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyCRYVOKSEOBDJIX-ZHFSPANRSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds4

About cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine

cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine (PubChem CID 174340922) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine
PubChem CID174340922
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Namecis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine
SMILESCN[C@H]1CC[C@H]1OCC(C)F
InChIInChI=1S/C8H16FNO/c1-6(9)5-11-8-4-3-7(8)10-2/h6-8,10H,3-5H2,1-2H3/t6?,7-,8+/m0/s1
InChIKeyCRYVOKSEOBDJIX-ZHFSPANRSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine (CID 174340922) is cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine is CN[C@H]1CC[C@H]1OCC(C)F.
What is the InChIKey of cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine?
The InChIKey is CRYVOKSEOBDJIX-ZHFSPANRSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6(9)5-11-8-4-3-7(8)10-2/h6-8,10H,3-5H2,1-2H3/t6?,7-,8+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine?
cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine is sourced from PubChem (CID 174340922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).