2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

C11H10ClF — CID 116532144

IUPAC2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
SMILESFc1cc2c3c(c1)C(Cl)CC3CC2
InChIInChI=1S/C11H10ClF/c12-10-4-7-2-1-6-3-8(13)5-9(10)11(6)7/h3,5,7,10H,1-2,4H2
InChIKeyFYEOJRYYEZYGHE-UHFFFAOYSA-N
MW196.65 g/mol
LogP3.54
Rot. Bonds

About 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene

2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene (PubChem CID 116532144) has the molecular formula C11H10ClF and a molecular weight of 196.65 g/mol. Its IUPAC name is 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.

Molecular Properties

Compound Name2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
PubChem CID116532144
Molecular FormulaC11H10ClF
Molecular Weight196.65 g/mol
Exact Mass196.05
IUPAC Name2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene
SMILESFc1cc2c3c(c1)C(Cl)CC3CC2
InChIInChI=1S/C11H10ClF/c12-10-4-7-2-1-6-3-8(13)5-9(10)11(6)7/h3,5,7,10H,1-2,4H2
InChIKeyFYEOJRYYEZYGHE-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.65
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-trien-2-amine
CID 116532137
1-chloro-7-methoxy-1,2,3,3a,4,5-hexahydroacenaphthylene
CID 63821201
(1S)-5-fluoro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130739092
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
CID 171613740
(5,7-difluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 84768946
10-fluoro-5-methyl-6-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
CID 116532178
2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 84781691
6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-amine
CID 55253125
5-fluoro-7-methyl-1-(sulfamoylamino)-2,3-dihydro-1H-indene
CID 72706663
1-(3-chlorocyclopentyl)-4-fluorobenzene
CID 64515664
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
5-chloro-N-(2-chloro-4,6-difluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83081805

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The IUPAC name of 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene (CID 116532144) is 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene.
What is the SMILES notation for 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The canonical SMILES for 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene is Fc1cc2c3c(c1)C(Cl)CC3CC2.
What is the InChIKey of 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
The InChIKey is FYEOJRYYEZYGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF/c12-10-4-7-2-1-6-3-8(13)5-9(10)11(6)7/h3,5,7,10H,1-2,4H2.
What are the key properties of 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene?
2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene has a molecular weight of 196.65 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-fluorotricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene is sourced from PubChem (CID 116532144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).