N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine

C8H16FN — CID 130660217

IUPACN-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(C)CF)C1
InChIInChI=1S/C8H16FN/c1-6-3-8(4-6)10-7(2)5-9/h6-8,10H,3-5H2,1-2H3
InChIKeyBVIDJWSAXNABHL-UHFFFAOYSA-N
MW145.22 g/mol
LogP1.73
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine

N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine (PubChem CID 130660217) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine
PubChem CID130660217
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine
SMILESCC1CC(NC(C)CF)C1
InChIInChI=1S/C8H16FN/c1-6-3-8(4-6)10-7(2)5-9/h6-8,10H,3-5H2,1-2H3
InChIKeyBVIDJWSAXNABHL-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine?
The IUPAC name of N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine (CID 130660217) is N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine is CC1CC(NC(C)CF)C1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine?
The InChIKey is BVIDJWSAXNABHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6-3-8(4-6)10-7(2)5-9/h6-8,10H,3-5H2,1-2H3.
What are the key properties of N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine?
N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine has a molecular weight of 145.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 130660217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).