(2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol

C10H12FNO — CID 122519326

IUPAC(2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol
SMILESC=C1/C=C\C(O)=C(\F)C/C=C(/C)N1
InChIInChI=1S/C10H12FNO/c1-7-3-5-9(11)10(13)6-4-8(2)12-7/h3-4,6,12-13H,2,5H2,1H3/b6-4-,7-3-,10-9-
InChIKeyVTCNRABJFBSQSX-HNPOLCPGSA-N
MW181.21 g/mol
LogP2.69
Rot. Bonds

About (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol

(2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol (PubChem CID 122519326) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol.

Molecular Properties

Compound Name(2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol
PubChem CID122519326
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name(2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol
SMILESC=C1/C=C\C(O)=C(\F)C/C=C(/C)N1
InChIInChI=1S/C10H12FNO/c1-7-3-5-9(11)10(13)6-4-8(2)12-7/h3-4,6,12-13H,2,5H2,1H3/b6-4-,7-3-,10-9-
InChIKeyVTCNRABJFBSQSX-HNPOLCPGSA-N
XLogP2.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5E)-2-fluoro-5-(5-methyl-1,3-dihydropyrrol-2-ylidene)penta-1,3-dien-3-ol
CID 118057072
2-methyl-6-(trifluoromethyl)-1H-pyridin-2-ol
CID 154325423
(3Z)-5-(ethylamino)-2-fluorohexa-3,5-dien-2-ol
CID 163836576
3-(Tert-butylamino)-5-fluoro-5-methylcyclohepta-1,3,6-trien-1-ol
CID 166168729
2,6-Dimethyl-d-pyridinol
CID 129890960
2,6-dimethyl-1H-pyridin-2-ol
CID 73012561
(2E,4E)-4-(prop-1-en-2-ylamino)hepta-2,4-dien-3-ol
CID 89339374
(2R)-2,6-dimethyl-1H-pyridin-2-ol
CID 97304777
(2S)-2,6-dimethyl-1H-pyridin-2-ol
CID 97304778

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol?
The IUPAC name of (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol (CID 122519326) is (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol.
What is the SMILES notation for (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol?
The canonical SMILES for (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol is C=C1/C=C\C(O)=C(\F)C/C=C(/C)N1.
What is the InChIKey of (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol?
The InChIKey is VTCNRABJFBSQSX-HNPOLCPGSA-N. The full InChI is InChI=1S/C10H12FNO/c1-7-3-5-9(11)10(13)6-4-8(2)12-7/h3-4,6,12-13H,2,5H2,1H3/b6-4-,7-3-,10-9-.
What are the key properties of (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol?
(2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol has a molecular weight of 181.21 g/mol, XLogP of 2.69, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z,7Z)-5-fluoro-2-methyl-9-methylidene-1,4-dihydroazonin-6-ol is sourced from PubChem (CID 122519326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).