(E)-1-fluorohept-3-en-2-one

C7H11FO — CID 71502223

IUPAC(E)-1-fluorohept-3-en-2-one
SMILESCCC/C=C/C(=O)CF
InChIInChI=1S/C7H11FO/c1-2-3-4-5-7(9)6-8/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeyHEDCMAJWJMBNRS-SNAWJCMRSA-N
MW130.16 g/mol
LogP1.88
Rot. Bonds4

About (E)-1-fluorohept-3-en-2-one

(E)-1-fluorohept-3-en-2-one (PubChem CID 71502223) has the molecular formula C7H11FO and a molecular weight of 130.16 g/mol. Its IUPAC name is (E)-1-fluorohept-3-en-2-one.

Molecular Properties

Compound Name(E)-1-fluorohept-3-en-2-one
PubChem CID71502223
Molecular FormulaC7H11FO
Molecular Weight130.16 g/mol
Exact Mass130.08
IUPAC Name(E)-1-fluorohept-3-en-2-one
SMILESCCC/C=C/C(=O)CF
InChIInChI=1S/C7H11FO/c1-2-3-4-5-7(9)6-8/h4-5H,2-3,6H2,1H3/b5-4+
InChIKeyHEDCMAJWJMBNRS-SNAWJCMRSA-N
XLogP1.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4E,7E)-undeca-4,7-dien-6-one
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(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
1-ethylsulfanylhept-3-en-2-one
CID 141174038
2,2-dimethyldec-6-en-5-one
CID 141426644
hept-3-en-2-one;oct-3-en-2-one
CID 159843047
(E)-hex-2-enamide;hydrochloride
CID 141291310
methane;(E)-non-5-en-4-one;(Z)-non-6-en-4-one
CID 161199069
(2E,5E)-1,1,1-trifluoronona-2,5-dien-4-one
CID 51357228
(Z)-2,2-dimethyloct-4-en-3-one
CID 131248601
N-chlorohex-2-enamide
CID 140536866
(4Z,7E,10E,13E,18E)-17-oxodocosa-4,7,10,13,18-pentaenoic acid
CID 10269046

Frequently Asked Questions

What is the IUPAC name of (E)-1-fluorohept-3-en-2-one?
The IUPAC name of (E)-1-fluorohept-3-en-2-one (CID 71502223) is (E)-1-fluorohept-3-en-2-one.
What is the SMILES notation for (E)-1-fluorohept-3-en-2-one?
The canonical SMILES for (E)-1-fluorohept-3-en-2-one is CCC/C=C/C(=O)CF.
What is the InChIKey of (E)-1-fluorohept-3-en-2-one?
The InChIKey is HEDCMAJWJMBNRS-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H11FO/c1-2-3-4-5-7(9)6-8/h4-5H,2-3,6H2,1H3/b5-4+.
What are the key properties of (E)-1-fluorohept-3-en-2-one?
(E)-1-fluorohept-3-en-2-one has a molecular weight of 130.16 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-fluorohept-3-en-2-one is sourced from PubChem (CID 71502223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).