3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one

C10H18FNO — CID 142070726

IUPAC3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one
SMILESC=C(N)C(F)C(CCCC)C(C)=O
InChIInChI=1S/C10H18FNO/c1-4-5-6-9(8(3)13)10(11)7(2)12/h9-10H,2,4-6,12H2,1,3H3
InChIKeyQZHNDQMVCAGCRQ-UHFFFAOYSA-N
MW187.26 g/mol
LogP2.19
Rot. Bonds6

About 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one

3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one (PubChem CID 142070726) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one.

Molecular Properties

Compound Name3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one
PubChem CID142070726
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one
SMILESC=C(N)C(F)C(CCCC)C(C)=O
InChIInChI=1S/C10H18FNO/c1-4-5-6-9(8(3)13)10(11)7(2)12/h9-10H,2,4-6,12H2,1,3H3
InChIKeyQZHNDQMVCAGCRQ-UHFFFAOYSA-N
XLogP2.19
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one?
The IUPAC name of 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one (CID 142070726) is 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one.
What is the SMILES notation for 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one?
The canonical SMILES for 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one is C=C(N)C(F)C(CCCC)C(C)=O.
What is the InChIKey of 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one?
The InChIKey is QZHNDQMVCAGCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-5-6-9(8(3)13)10(11)7(2)12/h9-10H,2,4-6,12H2,1,3H3.
What are the key properties of 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one?
3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one has a molecular weight of 187.26 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-fluoroprop-2-enyl)heptan-2-one is sourced from PubChem (CID 142070726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).