9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol

C14H13FNOP — CID 142980732

IUPAC9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
SMILESCP1C2=CCC=CN=C2C(O)c2cc(F)ccc21
InChIInChI=1S/C14H13FNOP/c1-18-11-6-5-9(15)8-10(11)14(17)13-12(18)4-2-3-7-16-13/h3-8,14,17H,2H2,1H3
InChIKeyAIDSRVJZNZNQRJ-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.85
Rot. Bonds

About 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol

9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol (PubChem CID 142980732) has the molecular formula C14H13FNOP and a molecular weight of 261.24 g/mol. Its IUPAC name is 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol.

Molecular Properties

Compound Name9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
PubChem CID142980732
Molecular FormulaC14H13FNOP
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol
SMILESCP1C2=CCC=CN=C2C(O)c2cc(F)ccc21
InChIInChI=1S/C14H13FNOP/c1-18-11-6-5-9(15)8-10(11)14(17)13-12(18)4-2-3-7-16-13/h3-8,14,17H,2H2,1H3
InChIKeyAIDSRVJZNZNQRJ-UHFFFAOYSA-N
XLogP2.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(4-fluorophenyl)-2-methyliminohex-3-en-1-ol
CID 145107690
[4-fluoro-2-[(E)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840053
[4-fluoro-2-[(Z)-prop-1-enyl]phenyl]-(3H-pyrrol-2-yl)methanol
CID 152840054
(3,4-difluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
CID 161787203
(R)-3,4-dihydropyrrol-4-ylium-2-yl-(4-fluoro-2-propylphenyl)methanol
CID 159012561
(S)-(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
CID 159012562
(4-fluoro-2-propylphenyl)-(3H-pyrrol-2-yl)methanol
CID 159012563
phenyl(3H-pyrrol-2-yl)methanol
CID 23565366
(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
CID 59886434
ethane;(E)-2-methyl-1-phenyl-3-(3H-pyrrol-2-yl)prop-2-en-1-ol
CID 91077797
1-[3-[C,N-bis(ethenyl)carbonimidoyl]phenyl]ethanol
CID 123360794
ethane;phenyl(3H-quinoxalin-3-id-6-yl)methanol;yttrium
CID 145566758

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol?
The IUPAC name of 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol (CID 142980732) is 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol.
What is the SMILES notation for 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol?
The canonical SMILES for 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol is CP1C2=CCC=CN=C2C(O)c2cc(F)ccc21.
What is the InChIKey of 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol?
The InChIKey is AIDSRVJZNZNQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FNOP/c1-18-11-6-5-9(15)8-10(11)14(17)13-12(18)4-2-3-7-16-13/h3-8,14,17H,2H2,1H3.
What are the key properties of 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol?
9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol has a molecular weight of 261.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-6-methyl-4,11-dihydrophosphinolino[3,2-b]azepin-11-ol is sourced from PubChem (CID 142980732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).