(3S)-3-amino-1-fluoroheptan-2-one

Name: (3S)-3-amino-1-fluoroheptan-2-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₇H₁₄FNO — CID 155418085

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(3S)-3-amino-1-fluoroheptan-2-one

SMILESCCCC[C@H](N)C(=O)CF

InChIInChI=1S/C7H14FNO/c1-2-3-4-6(9)7(10)5-8/h6H,2-5,9H2,1H3/t6-/m0/s1

InChIKeyYKMJZQCEKRFTQA-LURJTMIESA-N

MW147.19 g/mol

LogP1.04

Rot. Bonds5

About (3S)-3-amino-1-fluoroheptan-2-one

(3S)-3-amino-1-fluoroheptan-2-one (PubChem CID 155418085) has the molecular formula C₇H₁₄FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S)-3-amino-1-fluoroheptan-2-one.

Molecular Properties

Compound Name	(3S)-3-amino-1-fluoroheptan-2-one
PubChem CID	155418085
Molecular Formula	C₇H₁₄FNO
Molecular Weight	147.19 g/mol
Exact Mass	147.11
IUPAC Name	(3S)-3-amino-1-fluoroheptan-2-one
SMILES	CCCC[C@H](N)C(=O)CF
InChI	InChI=1S/C7H14FNO/c1-2-3-4-6(9)7(10)5-8/h6H,2-5,9H2,1H3/t6-/m0/s1
InChIKey	YKMJZQCEKRFTQA-LURJTMIESA-N
XLogP	1.04
TPSA	43.09 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	5
Heavy Atoms	10
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	147.19
LogP ≤ 5	1.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-fluoroheptan-2-one?

The IUPAC name of (3S)-3-amino-1-fluoroheptan-2-one (CID 155418085) is (3S)-3-amino-1-fluoroheptan-2-one.

What is the SMILES notation for (3S)-3-amino-1-fluoroheptan-2-one?

The canonical SMILES for (3S)-3-amino-1-fluoroheptan-2-one is CCCC[C@H](N)C(=O)CF.

What is the InChIKey of (3S)-3-amino-1-fluoroheptan-2-one?

The InChIKey is YKMJZQCEKRFTQA-LURJTMIESA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-3-4-6(9)7(10)5-8/h6H,2-5,9H2,1H3/t6-/m0/s1.

What are the key properties of (3S)-3-amino-1-fluoroheptan-2-one?

(3S)-3-amino-1-fluoroheptan-2-one has a molecular weight of 147.19 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-amino-1-fluoroheptan-2-one is sourced from PubChem (CID 155418085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 155418085 — identifiers, structure, computed properties (public domain)

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