N-(1-cyclopropylethyl)-2-fluoropropan-2-amine

C8H16FN — CID 77187032

IUPACN-(1-cyclopropylethyl)-2-fluoropropan-2-amine
SMILESCC(NC(C)(C)F)C1CC1
InChIInChI=1S/C8H16FN/c1-6(7-4-5-7)10-8(2,3)9/h6-7,10H,4-5H2,1-3H3
InChIKeyMBTNBBQWONPSLH-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.08
Rot. Bonds3

About N-(1-cyclopropylethyl)-2-fluoropropan-2-amine

N-(1-cyclopropylethyl)-2-fluoropropan-2-amine (PubChem CID 77187032) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-fluoropropan-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-fluoropropan-2-amine
PubChem CID77187032
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC NameN-(1-cyclopropylethyl)-2-fluoropropan-2-amine
SMILESCC(NC(C)(C)F)C1CC1
InChIInChI=1S/C8H16FN/c1-6(7-4-5-7)10-8(2,3)9/h6-7,10H,4-5H2,1-3H3
InChIKeyMBTNBBQWONPSLH-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-fluoropropan-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-2-fluoropropan-2-amine (CID 77187032) is N-(1-cyclopropylethyl)-2-fluoropropan-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-fluoropropan-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-2-fluoropropan-2-amine is CC(NC(C)(C)F)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-fluoropropan-2-amine?
The InChIKey is MBTNBBQWONPSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-6(7-4-5-7)10-8(2,3)9/h6-7,10H,4-5H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-2-fluoropropan-2-amine?
N-(1-cyclopropylethyl)-2-fluoropropan-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-fluoropropan-2-amine is sourced from PubChem (CID 77187032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).