4-(3-fluoroprop-1-enyl)hept-4-en-3-ol

C10H17FO — CID 91335183

IUPAC4-(3-fluoroprop-1-enyl)hept-4-en-3-ol
SMILESCCC=C(C=CCF)C(O)CC
InChIInChI=1S/C10H17FO/c1-3-6-9(7-5-8-11)10(12)4-2/h5-7,10,12H,3-4,8H2,1-2H3
InChIKeyDMRWXZPEINEHTC-UHFFFAOYSA-N
MW172.24 g/mol
LogP2.62
Rot. Bonds5

About 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol

4-(3-fluoroprop-1-enyl)hept-4-en-3-ol (PubChem CID 91335183) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol.

Molecular Properties

Compound Name4-(3-fluoroprop-1-enyl)hept-4-en-3-ol
PubChem CID91335183
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name4-(3-fluoroprop-1-enyl)hept-4-en-3-ol
SMILESCCC=C(C=CCF)C(O)CC
InChIInChI=1S/C10H17FO/c1-3-6-9(7-5-8-11)10(12)4-2/h5-7,10,12H,3-4,8H2,1-2H3
InChIKeyDMRWXZPEINEHTC-UHFFFAOYSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-4-ethyl-5-[(Z)-3-fluoroprop-1-enyl]octa-1,5-diene
CID 143081217
(2Z,4Z)-1-fluoro-4-propylhepta-2,4-diene
CID 143996817
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
1-fluorobutan-2-ol
CID 13278453
(Z)-1-N,1-N,5-N,5-N-tetramethyl-4-propylidenehept-2-ene-1,5-diamine
CID 138664657
(2E,4Z)-1,3-difluorohepta-2,4-diene
CID 142242505
(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
CID 130217220
2-(fluoromethyl)pent-1-en-3-ol
CID 123568157
4-methylnona-4,6-dien-3-ol
CID 90740001
pentan-3-ol
CID 11428
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol?
The IUPAC name of 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol (CID 91335183) is 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol.
What is the SMILES notation for 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol?
The canonical SMILES for 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol is CCC=C(C=CCF)C(O)CC.
What is the InChIKey of 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol?
The InChIKey is DMRWXZPEINEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO/c1-3-6-9(7-5-8-11)10(12)4-2/h5-7,10,12H,3-4,8H2,1-2H3.
What are the key properties of 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol?
4-(3-fluoroprop-1-enyl)hept-4-en-3-ol has a molecular weight of 172.24 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroprop-1-enyl)hept-4-en-3-ol is sourced from PubChem (CID 91335183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).