N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine

C8H16FNO — CID 104871909

IUPACN-(3-fluoropropyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCCCF)C1
InChIInChI=1S/C8H16FNO/c1-11-8-5-7(6-8)10-4-2-3-9/h7-8,10H,2-6H2,1H3
InChIKeyFOMBFEZBRHMZCJ-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.11
Rot. Bonds5

About N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine

N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine (PubChem CID 104871909) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)-3-methoxycyclobutan-1-amine
PubChem CID104871909
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC NameN-(3-fluoropropyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCCCF)C1
InChIInChI=1S/C8H16FNO/c1-11-8-5-7(6-8)10-4-2-3-9/h7-8,10H,2-6H2,1H3
InChIKeyFOMBFEZBRHMZCJ-UHFFFAOYSA-N
XLogP1.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

rac-(1r,3r)-3-methoxy-N-methylcyclobutan-1-amine
CID 55295891
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
2-fluoro-2-methyl-N-propan-2-yl-3-propan-2-yloxypropan-1-amine
CID 134581779
N-methyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155122294
N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 155138949
4,4,4-trifluoro-3-methoxy-N-propan-2-ylbutan-1-amine
CID 155139108
3-[3-[[(1R,2S)-2-fluorocyclopropyl]amino]butoxy]-N-propan-2-ylcyclobutan-1-amine
CID 170154282
N-ethyl-3-(trifluoromethoxy)cyclobutan-1-amine
CID 170420954
N-propylcyclobutanamine;1-(trifluoromethoxy)butane
CID 172335452
cis-(1S,2R)-2-(2-fluoropropoxy)-N-methylcyclobutan-1-amine
CID 174340922
N-methyl-3-(1,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 175543881
N-propyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706243

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine?
The IUPAC name of N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine (CID 104871909) is N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine is COC1CC(NCCCF)C1.
What is the InChIKey of N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine?
The InChIKey is FOMBFEZBRHMZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-11-8-5-7(6-8)10-4-2-3-9/h7-8,10H,2-6H2,1H3.
What are the key properties of N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine?
N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine has a molecular weight of 161.22 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104871909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).