(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol

C9H15FO — CID 129172048

IUPAC(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
SMILESC/C=C\C(=C/CC)CC(O)F
InChIInChI=1S/C9H15FO/c1-3-5-8(6-4-2)7-9(10)11/h3,5-6,9,11H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyYYTNBSMFTAUCJO-CUKJDEOPSA-N
MW158.22 g/mol
LogP2.58
Rot. Bonds4

About (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol

(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol (PubChem CID 129172048) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol.

Molecular Properties

Compound Name(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
PubChem CID129172048
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol
SMILESC/C=C\C(=C/CC)CC(O)F
InChIInChI=1S/C9H15FO/c1-3-5-8(6-4-2)7-9(10)11/h3,5-6,9,11H,4,7H2,1-2H3/b5-3-,8-6+
InChIKeyYYTNBSMFTAUCJO-CUKJDEOPSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.58
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

(Z,4Z,7Z,8Z)-7,8-di(ethylidene)-6-methyl-4-propylideneundec-2-ene
CID 142130429
fermium;(Z)-2-(oxomethylamino)-4-[(Z)-prop-1-enyl]hept-4-enoic acid
CID 168915507
(2Z,4E)-4-(sulfanyloxymethyl)hepta-2,4-diene
CID 142317343
(2Z,4Z,6E)-4-ethyl-6-(2,2,2-trifluoroethyl)nona-2,4,6-triene
CID 178040675
[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl] formate
CID 143198553
(E)-N-ethyl-5-[(E)-prop-1-enyl]oct-5-en-1-amine
CID 134570205
(2Z,4E)-4-methylsulfanylhepta-2,4-diene
CID 89346881
5-(3-fluoroprop-1-enyl)-4-methylideneocta-2,5-diene
CID 123446720
4-ethylidene-5-methylocta-2,5-diene
CID 123325862
(2Z,4E)-4-(trifluoromethoxy)hepta-2,4-diene
CID 156533724
2-propylidenehept-3-ene-1,5-diol
CID 57275472
N-methyl-3-prop-1-enylhex-3-en-2-amine
CID 123966839

Frequently Asked Questions

What is the IUPAC name of (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol?
The IUPAC name of (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol (CID 129172048) is (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol.
What is the SMILES notation for (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol?
The canonical SMILES for (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol is C/C=C\C(=C/CC)CC(O)F.
What is the InChIKey of (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol?
The InChIKey is YYTNBSMFTAUCJO-CUKJDEOPSA-N. The full InChI is InChI=1S/C9H15FO/c1-3-5-8(6-4-2)7-9(10)11/h3,5-6,9,11H,4,7H2,1-2H3/b5-3-,8-6+.
What are the key properties of (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol?
(Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol has a molecular weight of 158.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-fluoro-3-[(Z)-prop-1-enyl]hex-3-en-1-ol is sourced from PubChem (CID 129172048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).