(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane

C10H11FNO3P — CID 71215607

IUPAC(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane
SMILESO=[N+]([O-])c1cc(F)cc(O[C@@H]2CCPC2)c1
InChIInChI=1S/C10H11FNO3P/c11-7-3-8(12(13)14)5-10(4-7)15-9-1-2-16-6-9/h3-5,9,16H,1-2,6H2/t9-/m1/s1
InChIKeySDCDAUJWCUOORX-SECBINFHSA-N
MW243.17 g/mol
LogP2.56
Rot. Bonds3

About (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane

(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane (PubChem CID 71215607) has the molecular formula C10H11FNO3P and a molecular weight of 243.17 g/mol. Its IUPAC name is (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane.

Molecular Properties

Compound Name(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane
PubChem CID71215607
Molecular FormulaC10H11FNO3P
Molecular Weight243.17 g/mol
Exact Mass243.05
IUPAC Name(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane
SMILESO=[N+]([O-])c1cc(F)cc(O[C@@H]2CCPC2)c1
InChIInChI=1S/C10H11FNO3P/c11-7-3-8(12(13)14)5-10(4-7)15-9-1-2-16-6-9/h3-5,9,16H,1-2,6H2/t9-/m1/s1
InChIKeySDCDAUJWCUOORX-SECBINFHSA-N
XLogP2.56
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.17
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(3-fluoro-5-nitrophenoxy)cyclopentan-1-amine
CID 79465301
1-fluoro-3-(2-methylcyclohexyl)oxy-5-nitrobenzene
CID 80752281
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
[(2R,4S)-4-(3-fluoro-5-nitrophenoxy)pyrrolidin-2-yl]methanol
CID 68984308
2-[(2R,4R)-4-(3-fluoro-5-nitrophenoxy)pyrrolidin-2-yl]ethanol
CID 142926578
(6R)-6-(3-fluoro-5-nitrophenoxy)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 68983256
(3-fluoro-5-nitrophenoxy)-hydroxy-oxophosphanium
CID 175445646
1-(3,5-dimethoxyphenoxy)-3-fluoro-5-nitrobenzene
CID 80752219
1-fluoro-3-nitro-5-(2,2,2-trifluoroethoxy)benzene
CID 80753207
6-(3-fluoro-5-nitrophenoxy)-5,6-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 69319666
4-(3-chloro-5-nitrophenoxy)oxane
CID 146628028
3-nitro-5-(oxetan-3-yloxy)aniline
CID 102608859

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane?
The IUPAC name of (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane (CID 71215607) is (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane.
What is the SMILES notation for (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane?
The canonical SMILES for (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane is O=[N+]([O-])c1cc(F)cc(O[C@@H]2CCPC2)c1.
What is the InChIKey of (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane?
The InChIKey is SDCDAUJWCUOORX-SECBINFHSA-N. The full InChI is InChI=1S/C10H11FNO3P/c11-7-3-8(12(13)14)5-10(4-7)15-9-1-2-16-6-9/h3-5,9,16H,1-2,6H2/t9-/m1/s1.
What are the key properties of (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane?
(3R)-3-(3-fluoro-5-nitrophenoxy)phospholane has a molecular weight of 243.17 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluoro-5-nitrophenoxy)phospholane is sourced from PubChem (CID 71215607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).